 Entering Gaussian System, Link 0=g16
 Input=09_L-alanine_conformer01_wB97XD_def2SVPDr.in
 Output=09_L-alanine_conformer01_wB97XD_def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            P    1   1.00
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/09_L-alanine/Gau-12388.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/09_L-alanine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     12389.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=09_L-alanine_conformer01_wB97XD_def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 26 17:34:06 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "09_L-alanine_conformer01_wB97XD_def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.427002000000     -1.177442000000     -0.238479000000
  C                                                -0.641972000000     -0.024738000000      0.376681000000
  C                                                 0.861565000000     -0.144798000000      0.057109000000
  O                                                 1.452963000000     -1.189459000000      0.072265000000
  N                                                -1.120167000000      1.316111000000      0.005085000000
  O                                                 1.454628000000      1.025837000000     -0.203694000000
  H                                                -0.696010000000     -0.097667000000      1.466774000000
  H                                                -2.464827000000     -1.153806000000      0.096525000000
  H                                                -1.412823000000     -1.109205000000     -1.329075000000
  H                                                -0.983233000000     -2.130910000000      0.041168000000
  H                                                -1.537883000000      1.311542000000     -0.918614000000
  H                                                -1.812681000000      1.664603000000      0.653772000000
  H                                                 0.732350000000      1.693512000000     -0.166585000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          14          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Aug 26 17:34:06 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.427002   -1.177442   -0.238479
      2          6           0       -0.641972   -0.024738    0.376681
      3          6           0        0.861565   -0.144798    0.057109
      4          8           0        1.452963   -1.189459    0.072265
      5          7           0       -1.120167    1.316111    0.005085
      6          8           0        1.454628    1.025837   -0.203694
      7          1           0       -0.696010   -0.097667    1.466774
      8          1           0       -2.464827   -1.153806    0.096525
      9          1           0       -1.412823   -1.109205   -1.329075
     10          1           0       -0.983233   -2.130910    0.041168
     11          1           0       -1.537883    1.311542   -0.918614
     12          1           0       -1.812681    1.664603    0.653772
     13          1           0        0.732350    1.693512   -0.166585
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524277   0.000000
     3  C    2.528095   1.541805   0.000000
     4  O    2.896706   2.416195   1.200541   0.000000
     5  N    2.524139   1.471268   2.462564   3.592129   0.000000
     6  O    3.627594   2.415838   1.337957   2.232419   2.599503
     7  H    2.146660   1.093865   2.101289   2.784735   2.077309
     8  H    1.090810   2.162425   3.476282   3.918027   2.813710
     9  H    1.092821   2.163304   2.832742   3.191069   2.783485
    10  H    1.088225   2.159858   2.710752   2.611962   3.449929
    11  H    2.582619   2.065451   2.971584   4.022687   1.013769
    12  H    3.003678   2.073936   3.283524   4.375871   1.010850
    13  H    3.593097   2.266337   1.856373   2.981250   1.898347
                    6          7          8          9         10
     6  O    0.000000
     7  H    2.945839   0.000000
     8  H    4.494786   2.474212   0.000000
     9  H    3.747954   3.058399   1.772297   0.000000
    10  H    3.996020   2.499785   1.775646   1.762383   0.000000
    11  H    3.089961   2.895634   2.822707   2.458482   3.616531
    12  H    3.437816   2.239090   2.946056   3.433013   3.933089
    13  H    0.984303   2.813609   4.289334   3.715962   4.196736
                   11         12         13
    11  H    0.000000
    12  H    1.634798   0.000000
    13  H    2.421860   2.674136   0.000000
 Stoichiometry    C3H7NO2
 Framework group  C1[X(C3H7NO2)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.42D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.427003   -1.177441   -0.238479
      2          6           0       -0.641972   -0.024738    0.376681
      3          6           0        0.861565   -0.144799    0.057109
      4          8           0        1.452962   -1.189460    0.072265
      5          7           0       -1.120166    1.316112    0.005085
      6          8           0        1.454629    1.025836   -0.203694
      7          1           0       -0.696010   -0.097667    1.466774
      8          1           0       -2.464828   -1.153804    0.096525
      9          1           0       -1.412824   -1.109204   -1.329075
     10          1           0       -0.983234   -2.130909    0.041168
     11          1           0       -1.537882    1.311543   -0.918614
     12          1           0       -1.812680    1.664604    0.653772
     13          1           0        0.732351    1.693511   -0.166585
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.8847515           3.4338653           2.1618198
 Leave Link  202 at Thu Aug 26 17:34:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     12     13
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      6
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   194 symmetry adapted cartesian basis functions of A   symmetry.
 There are   182 symmetry adapted basis functions of A   symmetry.
   182 basis functions,   268 primitive gaussians,   194 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       250.1931013526 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0057863276 Hartrees.
 Nuclear repulsion after empirical dispersion term =      250.1873150250 Hartrees.
 Leave Link  301 at Thu Aug 26 17:34:08 2021, MaxMem=  5368709120 cpu:               5.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   182 RedAO= T EigKep=  6.55D-05  NBF=   182
 NBsUse=   182 1.00D-06 EigRej= -1.00D+00 NBFU=   182
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   194   194   194   194   194 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Thu Aug 26 17:34:08 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 26 17:34:09 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "09_L-alanine_conformer01_wB97XD_def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 26 17:34:09 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368630297 LenY=  5368592220
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -323.439401536004    
 DIIS: error= 1.50D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -323.439401536004     IErMin= 1 ErrMin= 1.50D-03
 ErrMax= 1.50D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-03 BMatP= 1.69D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.50D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.411 Goal=   None    Shift=    0.000
 GapD=    0.411 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=2.19D-03 MaxDP=4.72D-02              OVMax= 9.37D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.13D-03    CP:  9.77D-01
 E= -323.441289782769     Delta-E=       -0.001888246765 Rises=F Damp=F
 DIIS: error= 2.42D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -323.441289782769     IErMin= 2 ErrMin= 2.42D-04
 ErrMax= 2.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-05 BMatP= 1.69D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.42D-03
 Coeff-Com: -0.680D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.679D-01 0.107D+01
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=2.58D-04 MaxDP=5.33D-03 DE=-1.89D-03 OVMax= 2.80D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.57D-04    CP:  9.74D-01  1.09D+00
 E= -323.441347399138     Delta-E=       -0.000057616369 Rises=F Damp=F
 DIIS: error= 1.30D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -323.441347399138     IErMin= 3 ErrMin= 1.30D-04
 ErrMax= 1.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-05 BMatP= 3.15D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.30D-03
 Coeff-Com: -0.482D-01 0.402D+00 0.646D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.481D-01 0.401D+00 0.647D+00
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=3.09D-05 MaxDP=8.38D-04 DE=-5.76D-05 OVMax= 8.30D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.70D-05    CP:  9.74D-01  1.10D+00  1.02D+00
 E= -323.441356133205     Delta-E=       -0.000008734066 Rises=F Damp=F
 DIIS: error= 6.85D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -323.441356133205     IErMin= 4 ErrMin= 6.85D-05
 ErrMax= 6.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-06 BMatP= 1.22D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-01 0.312D-01 0.262D+00 0.718D+00
 Coeff:     -0.113D-01 0.312D-01 0.262D+00 0.718D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=1.45D-05 MaxDP=3.32D-04 DE=-8.73D-06 OVMax= 6.33D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.32D-05    CP:  9.74D-01  1.10D+00  1.06D+00  1.04D+00
 E= -323.441357422306     Delta-E=       -0.000001289101 Rises=F Damp=F
 DIIS: error= 3.16D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -323.441357422306     IErMin= 5 ErrMin= 3.16D-05
 ErrMax= 3.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.77D-07 BMatP= 1.72D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-02-0.339D-01 0.272D-01 0.354D+00 0.651D+00
 Coeff:      0.166D-02-0.339D-01 0.272D-01 0.354D+00 0.651D+00
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=5.92D-06 MaxDP=1.39D-04 DE=-1.29D-06 OVMax= 1.60D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.57D-06    CP:  9.74D-01  1.10D+00  1.07D+00  1.13D+00  1.09D+00
 E= -323.441357726588     Delta-E=       -0.000000304282 Rises=F Damp=F
 DIIS: error= 6.04D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -323.441357726588     IErMin= 6 ErrMin= 6.04D-06
 ErrMax= 6.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-08 BMatP= 3.77D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-02-0.149D-01-0.160D-01 0.604D-01 0.210D+00 0.759D+00
 Coeff:      0.124D-02-0.149D-01-0.160D-01 0.604D-01 0.210D+00 0.759D+00
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=2.55D-06 MaxDP=9.30D-05 DE=-3.04D-07 OVMax= 5.09D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.27D-06    CP:  9.74D-01  1.10D+00  1.07D+00  1.16D+00  1.21D+00
                    CP:  1.21D+00
 E= -323.441357742425     Delta-E=       -0.000000015837 Rises=F Damp=F
 DIIS: error= 2.42D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -323.441357742425     IErMin= 7 ErrMin= 2.42D-06
 ErrMax= 2.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-09 BMatP= 1.64D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.323D-03-0.222D-02-0.795D-02-0.471D-02 0.200D-01 0.318D+00
 Coeff-Com:  0.677D+00
 Coeff:      0.323D-03-0.222D-02-0.795D-02-0.471D-02 0.200D-01 0.318D+00
 Coeff:      0.677D+00
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=7.95D-07 MaxDP=3.18D-05 DE=-1.58D-08 OVMax= 1.45D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.49D-07    CP:  9.74D-01  1.10D+00  1.07D+00  1.17D+00  1.24D+00
                    CP:  1.28D+00  1.11D+00
 E= -323.441357745193     Delta-E=       -0.000000002768 Rises=F Damp=F
 DIIS: error= 5.73D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -323.441357745193     IErMin= 8 ErrMin= 5.73D-07
 ErrMax= 5.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-10 BMatP= 2.67D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D-03 0.164D-02-0.310D-04-0.992D-02-0.319D-01-0.434D-01
 Coeff-Com:  0.139D+00 0.945D+00
 Coeff:     -0.104D-03 0.164D-02-0.310D-04-0.992D-02-0.319D-01-0.434D-01
 Coeff:      0.139D+00 0.945D+00
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=6.26D-07 MaxDP=2.53D-05 DE=-2.77D-09 OVMax= 8.57D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.70D-07    CP:  9.74D-01  1.10D+00  1.07D+00  1.18D+00  1.26D+00
                    CP:  1.35D+00  1.29D+00  1.30D+00
 E= -323.441357745537     Delta-E=       -0.000000000344 Rises=F Damp=F
 DIIS: error= 2.38D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -323.441357745537     IErMin= 9 ErrMin= 2.38D-07
 ErrMax= 2.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-11 BMatP= 1.97D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.737D-04 0.903D-03 0.659D-03-0.354D-02-0.160D-01-0.441D-01
 Coeff-Com:  0.931D-03 0.385D+00 0.676D+00
 Coeff:     -0.737D-04 0.903D-03 0.659D-03-0.354D-02-0.160D-01-0.441D-01
 Coeff:      0.931D-03 0.385D+00 0.676D+00
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=1.13D-07 MaxDP=7.24D-06 DE=-3.44D-10 OVMax= 2.27D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.48D-08    CP:  9.74D-01  1.10D+00  1.07D+00  1.18D+00  1.26D+00
                    CP:  1.36D+00  1.33D+00  1.40D+00  1.08D+00
 E= -323.441357745568     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 7.58D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -323.441357745568     IErMin=10 ErrMin= 7.58D-08
 ErrMax= 7.58D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-12 BMatP= 3.12D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.822D-05 0.586D-04 0.143D-03 0.252D-03-0.971D-03-0.587D-02
 Coeff-Com: -0.155D-01-0.959D-02 0.198D+00 0.833D+00
 Coeff:     -0.822D-05 0.586D-04 0.143D-03 0.252D-03-0.971D-03-0.587D-02
 Coeff:     -0.155D-01-0.959D-02 0.198D+00 0.833D+00
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=3.07D-08 MaxDP=1.14D-06 DE=-3.09D-11 OVMax= 1.00D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.50D-08    CP:  9.74D-01  1.10D+00  1.07D+00  1.18D+00  1.26D+00
                    CP:  1.36D+00  1.34D+00  1.44D+00  1.16D+00  1.09D+00
 E= -323.441357745575     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 1.98D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -323.441357745575     IErMin=11 ErrMin= 1.98D-08
 ErrMax= 1.98D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-13 BMatP= 2.55D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.599D-05-0.825D-04-0.416D-04 0.496D-03 0.147D-02 0.361D-02
 Coeff-Com: -0.440D-02-0.459D-01-0.234D-01 0.216D+00 0.852D+00
 Coeff:      0.599D-05-0.825D-04-0.416D-04 0.496D-03 0.147D-02 0.361D-02
 Coeff:     -0.440D-02-0.459D-01-0.234D-01 0.216D+00 0.852D+00
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=1.28D-08 MaxDP=5.09D-07 DE=-7.05D-12 OVMax= 4.04D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.51D-09    CP:  9.74D-01  1.10D+00  1.07D+00  1.18D+00  1.26D+00
                    CP:  1.36D+00  1.35D+00  1.45D+00  1.19D+00  1.18D+00
                    CP:  1.06D+00
 E= -323.441357745573     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 6.08D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -323.441357745575     IErMin=12 ErrMin= 6.08D-09
 ErrMax= 6.08D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-14 BMatP= 2.38D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.159D-05-0.187D-04-0.217D-04 0.676D-04 0.300D-03 0.104D-02
 Coeff-Com:  0.219D-03-0.579D-02-0.207D-01-0.389D-01 0.132D+00 0.932D+00
 Coeff:      0.159D-05-0.187D-04-0.217D-04 0.676D-04 0.300D-03 0.104D-02
 Coeff:      0.219D-03-0.579D-02-0.207D-01-0.389D-01 0.132D+00 0.932D+00
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=3.29D-09 MaxDP=7.19D-08 DE= 1.36D-12 OVMax= 1.80D-07

 SCF Done:  E(RwB97XD) =  -323.441357746     A.U. after   12 cycles
            NFock= 12  Conv=0.33D-08     -V/T= 2.0099
 KE= 3.202574759272D+02 PE=-1.255959004529D+03 EE= 3.620728558309D+02
 Leave Link  502 at Thu Aug 26 17:34:39 2021, MaxMem=  5368709120 cpu:             236.2 elap:              29.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   182
 NBasis=   182 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    182 NOA=    24 NOB=    24 NVA=   158 NVB=   158

 **** Warning!!: The largest alpha MO coefficient is  0.25044401D+02

 Leave Link  801 at Thu Aug 26 17:34:40 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3945 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.32D-14 8.33D-09 XBig12= 1.00D+00 2.88D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.32D-14 8.33D-09 XBig12= 2.04D-01 6.90D-02.
     11 vectors produced by pass  2 Test12= 6.32D-14 8.33D-09 XBig12= 3.11D-02 4.46D-02.
     11 vectors produced by pass  3 Test12= 6.32D-14 8.33D-09 XBig12= 2.04D-03 1.10D-02.
     11 vectors produced by pass  4 Test12= 6.32D-14 8.33D-09 XBig12= 1.12D-04 2.19D-03.
     11 vectors produced by pass  5 Test12= 6.32D-14 8.33D-09 XBig12= 3.20D-06 2.74D-04.
     11 vectors produced by pass  6 Test12= 6.32D-14 8.33D-09 XBig12= 7.34D-08 4.64D-05.
     11 vectors produced by pass  7 Test12= 6.32D-14 8.33D-09 XBig12= 1.06D-09 4.80D-06.
     11 vectors produced by pass  8 Test12= 6.32D-14 8.33D-09 XBig12= 1.34D-11 5.16D-07.
      7 vectors produced by pass  9 Test12= 6.32D-14 8.33D-09 XBig12= 1.38D-13 4.79D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.585226D+02
      2 -0.115522D+01  0.603306D+02
      3 -0.412120D+00 -0.574653D+00  0.444881D+02
 Isotropic polarizability for W=    0.093368       54.45 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.402208D+02  0.523287D+00 -0.708529D+00
      2   0.247008D+02 -0.896240D+01  0.123275D+01
      3   0.155200D+02  0.843912D+01 -0.524224D+00
      4  -0.113618D+02 -0.193285D+02 -0.551012D+01
      5  -0.900467D+00 -0.661188D+01 -0.395367D+02
      6  -0.430493D+01 -0.199079D+01 -0.662575D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.589376D+00  0.209023D+01  0.555519D+01
      2  -0.305015D+01 -0.167847D+01 -0.178362D+02
      3   0.255834D+01  0.958966D+01  0.122127D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.110176D+01 -0.322354D+01  0.150649D+02
      2   0.191938D+00 -0.120520D+01 -0.550567D+02
      3  -0.118851D+02  0.440293D+02  0.230696D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.504045D+00 -0.138970D+00 -0.163091D+01
      2  -0.138970D+00  0.604022D+00  0.683216D+00
      3  -0.163091D+01  0.683216D+00  0.321904D-01
 OR G Eigenvalues:    -1.9353     0.3163     1.7511  Iso=    -0.0441
 Eigenvectors:
   (1)   0.738692  -0.137135   0.659945
   (2)   0.412058   0.866704  -0.281127
   (3)  -0.533425   0.479602   0.696735
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0441 au.
 Molar Mass =     89.0938 grams/mole, [Alpha] ( 4880.0 A) =      -27.87 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   16653 ScalPx= 6.22D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   16653 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.44D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.05D-14 2.78D-09 XBig12= 1.00D+00 4.21D-01.
     30 vectors produced by pass  1 Test12= 1.05D-14 2.78D-09 XBig12= 9.02D-02 4.71D-02.
     30 vectors produced by pass  2 Test12= 1.05D-14 2.78D-09 XBig12= 1.03D-03 5.19D-03.
     30 vectors produced by pass  3 Test12= 1.05D-14 2.78D-09 XBig12= 1.01D-05 4.69D-04.
     30 vectors produced by pass  4 Test12= 1.05D-14 2.78D-09 XBig12= 7.33D-08 3.30D-05.
     30 vectors produced by pass  5 Test12= 1.05D-14 2.78D-09 XBig12= 4.87D-10 2.90D-06.
     30 vectors produced by pass  6 Test12= 1.05D-14 2.78D-09 XBig12= 2.67D-12 2.52D-07.
     26 vectors produced by pass  7 Test12= 1.05D-14 2.78D-09 XBig12= 1.53D-14 2.07D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   236 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   16653 ScalPx= 2.94D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   16653 ScalPx= 2.94D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   16653 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.50D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.585226D+02 -0.115522D+01 -0.412120D+00
      2  -0.115522D+01  0.603306D+02 -0.574653D+00
      3  -0.412120D+00 -0.574653D+00  0.444881D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.589376D+00  0.209023D+01  0.555519D+01
      2  -0.305015D+01 -0.167847D+01 -0.178362D+02
      3   0.255834D+01  0.958966D+01  0.122127D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.402208D+02  0.523287D+00 -0.708529D+00
      2   0.247008D+02 -0.896240D+01  0.123275D+01
      3   0.155200D+02  0.843912D+01 -0.524224D+00
      4  -0.113618D+02 -0.193285D+02 -0.551012D+01
      5  -0.900467D+00 -0.661188D+01 -0.395367D+02
      6  -0.430493D+01 -0.199079D+01 -0.662575D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.491136D+01 -0.520695D+00 -0.226009D+01 -0.148433D+01 -0.324153D+01
      2  -0.520695D+00 -0.417856D+01 -0.153153D+00 -0.324153D+01  0.245059D+01
      3  -0.226009D+01 -0.153153D+00  0.631513D-01 -0.245626D+00 -0.190698D+01
                 6             7             8             9            10 
      1  -0.245626D+00 -0.273390D+01 -0.595484D+00  0.417566D+00 -0.365159D+01
      2  -0.190698D+01 -0.595484D+00 -0.212643D+01 -0.268074D-01  0.952697D+00
      3  -0.243049D+00  0.417566D+00 -0.268074D-01  0.671416D+01  0.607150D+00
                11            12            13            14            15 
      1   0.952697D+00  0.607150D+00  0.125547D+01  0.268413D+01  0.394459D+00
      2   0.350179D+01  0.413979D+00  0.268413D+01 -0.148749D+01  0.102616D+01
      3   0.413979D+00  0.791953D-01  0.394459D+00  0.102616D+01  0.570818D+00
                16            17            18            19            20 
      1   0.439556D+00  0.912803D+00  0.426133D+00  0.217161D+01  0.768100D+00
      2   0.912803D+00  0.161400D+01  0.207063D+00  0.768100D+00 -0.383314D+01
      3   0.426133D+00  0.207063D+00 -0.670525D+01  0.540408D-02  0.242406D+00
                21            22            23            24            25 
      1   0.540408D-02  0.245396D+01 -0.395062D+01  0.139075D+00 -0.525622D+00
      2   0.242406D+00 -0.395062D+01  0.351188D+01  0.443013D-02  0.439560D+00
      3  -0.765665D-01  0.139075D+00  0.443013D-02  0.589847D+00  0.365192D-01
                26            27            28            29            30 
      1   0.439560D+00  0.365192D-01  0.563230D+01 -0.411319D+01  0.212293D+00
      2  -0.348771D+00  0.331013D+00 -0.411319D+01  0.428336D+01 -0.284876D+00
      3   0.331013D+00  0.557554D+00  0.212293D+00 -0.284876D+00  0.123046D+01
                31            32            33            34            35 
      1  -0.496378D+01  0.381195D+01  0.864954D-02  0.298755D+00 -0.731592D-02
      2   0.381195D+01 -0.102003D+02  0.136967D+00 -0.731592D-02  0.162813D-01
      3   0.864954D-02  0.136967D+00 -0.235103D+01  0.192429D+01 -0.272818D+01
                36            37            38            39            40 
      1   0.192429D+01  0.312004D+01 -0.158403D+01 -0.755981D+00 -0.104744D+01
      2  -0.272818D+01 -0.158403D+01 -0.540970D-01  0.298700D+00 -0.700937D+00
      3   0.131499D+00 -0.755981D+00  0.298700D+00  0.267310D+01  0.424529D+00
                41            42            43            44            45 
      1  -0.700937D+00  0.424529D+00 -0.946454D+00  0.556617D+00  0.289813D+01
      2   0.511768D+01 -0.796284D+00  0.556617D+00 -0.870019D+00 -0.457762D+00
      3  -0.796284D+00 -0.174469D+00  0.289813D+01 -0.457762D+00  0.285106D+01
                46            47            48            49            50 
      1   0.709607D+01  0.163407D+01 -0.673495D+00 -0.177430D+01  0.353321D+01
      2   0.163407D+01  0.374455D+01 -0.360945D+00  0.353321D+01  0.241391D+01
      3  -0.673495D+00 -0.360945D+00  0.897640D+00  0.159491D-02 -0.363174D+00
                51            52            53            54            55 
      1   0.159491D-02 -0.818365D+00 -0.470746D+00  0.121171D+01  0.146902D+00
      2  -0.363174D+00 -0.470746D+00 -0.423523D+00  0.170092D+01 -0.187330D+00
      3   0.894390D+00  0.121171D+01  0.170092D+01 -0.109532D+01  0.978923D+00
                56            57            58            59            60 
      1  -0.187330D+00  0.978923D+00 -0.505639D+00 -0.707739D+00  0.158637D-01
      2  -0.720664D+00 -0.320498D-01 -0.707739D+00  0.367176D-01  0.108394D+01
      3  -0.320498D-01 -0.459012D+00  0.158637D-01  0.108394D+01 -0.456382D+00
                61            62            63            64            65 
      1   0.177269D+01 -0.122151D+00 -0.653151D+00 -0.915296D+01 -0.138141D+01
      2  -0.122151D+00  0.143911D+01 -0.331794D-01 -0.138141D+01 -0.136947D+01
      3  -0.653151D+00 -0.331794D-01  0.863551D+01  0.144175D+01  0.109549D+00
                66            67            68            69            70 
      1   0.144175D+01  0.174838D+00 -0.784220D+00  0.129896D+00  0.227507D+01
      2   0.109549D+00 -0.784220D+00 -0.554197D+00  0.488363D+00  0.383165D+00
      3  -0.155683D+01  0.129896D+00  0.488363D+00  0.906252D-01 -0.138211D+01
                71            72            73            74            75 
      1   0.383165D+00 -0.138211D+01 -0.690949D+00 -0.969885D-01 -0.673503D+00
      2   0.974449D+00 -0.189560D+00 -0.969885D-01  0.552096D+00  0.577744D-01
      3  -0.189560D+00  0.366637D+00 -0.673503D+00  0.577744D-01  0.461511D-01
                76            77            78            79            80 
      1   0.337337D+00  0.222037D+00  0.137610D+00 -0.140354D+01 -0.365792D+00
      2   0.222037D+00 -0.374386D+00 -0.752574D+00 -0.365792D+00 -0.172240D+01
      3   0.137610D+00 -0.752574D+00  0.285694D+00 -0.981360D+00 -0.917375D+00
                81            82            83            84            85 
      1  -0.981360D+00  0.858420D+00 -0.637599D+00  0.483035D+00 -0.141495D+01
      2  -0.917375D+00 -0.637599D+00  0.236032D+01 -0.114354D+00  0.946660D+00
      3  -0.825423D+01  0.483035D+00 -0.114354D+00  0.615578D+00 -0.205045D+00
                86            87            88            89            90 
      1   0.946660D+00 -0.205045D+00  0.780266D+00  0.671106D-01  0.182592D+00
      2  -0.804033D+01  0.995893D+00  0.671106D-01  0.154962D+01 -0.112451D+01
      3   0.995893D+00 -0.134957D+01  0.182592D+00 -0.112451D+01  0.118853D+00
                91            92            93            94            95 
      1  -0.162211D+01  0.106757D+01 -0.139675D+01  0.674910D+00 -0.237023D+00
      2   0.106757D+01 -0.677819D+00  0.589633D+00 -0.237023D+00  0.601364D+00
      3  -0.139675D+01  0.589633D+00 -0.183311D+01  0.254162D+00 -0.470995D+00
                96            97            98            99           100 
      1   0.254162D+00 -0.254080D+01  0.708066D+00 -0.242532D+01 -0.451394D+01
      2  -0.470995D+00  0.708066D+00 -0.188109D+01  0.118458D+01  0.270240D+01
      3   0.193068D+00 -0.242532D+01  0.118458D+01 -0.526857D+01  0.166938D+01
               101           102           103           104           105 
      1   0.270240D+01  0.166938D+01  0.264604D+01 -0.154507D+01 -0.873690D+00
      2  -0.226870D+01 -0.980173D+00 -0.154507D+01  0.202257D+01  0.812994D+00
      3  -0.980173D+00 -0.167074D+01 -0.873690D+00  0.812994D+00  0.997016D+00
               106           107           108           109           110 
      1   0.305393D+01 -0.146560D+01 -0.199540D+01 -0.430515D+01  0.139639D+01
      2  -0.146560D+01  0.184834D+01  0.135722D+01  0.139639D+01 -0.133967D+01
      3  -0.199540D+01  0.135722D+01  0.217187D+01  0.361874D+00  0.213511D+00
               111           112           113           114           115 
      1   0.361874D+00  0.364789D+01 -0.308510D-01 -0.181476D+00  0.348404D+00
      2   0.213511D+00 -0.308510D-01  0.450198D+01 -0.258731D+00 -0.402340D-01
      3  -0.902883D-02 -0.181476D+00 -0.258731D+00  0.953038D+00  0.340404D+00
               116           117 
      1  -0.402340D-01  0.340404D+00
      2  -0.695594D-01  0.696574D+00
      3   0.696574D+00 -0.223774D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.428199D+01 -0.977970D-01 -0.507122D+00 -0.708318D+00 -0.653145D+01
      2   0.618094D+01  0.154496D+01  0.126516D+01  0.172367D+01  0.260733D+01
      3  -0.749437D+01 -0.890145D+01  0.297950D+01 -0.121502D+01  0.119166D+02
                 6             7             8             9            10 
      1  -0.262100D+01  0.105289D+01  0.225397D+01  0.847109D+01  0.105238D+01
      2   0.672243D+00 -0.340675D+01 -0.116551D+00 -0.933363D+01  0.860350D+00
      3  -0.294524D+01  0.320828D+01 -0.285032D+01 -0.841862D+00  0.368952D+01
                11            12            13            14            15 
      1   0.104391D+01 -0.169259D+00  0.171449D+01  0.599862D+00  0.518899D+00
      2   0.139902D+01  0.341465D+01 -0.117295D+01 -0.330281D+01 -0.874575D+00
      3  -0.291738D+01 -0.115955D+01  0.133093D+01 -0.282134D+01  0.129990D+01
                16            17            18            19            20 
      1   0.159059D+00  0.517217D+01 -0.940906D+00  0.611553D-01  0.102807D+01
      2  -0.313867D+01 -0.430527D+00  0.203032D+01 -0.469445D+01 -0.179328D+01
      3   0.430214D+00  0.228460D+01 -0.459602D+00  0.344753D+01  0.293456D+01
                21            22            23            24            25 
      1  -0.143908D+01  0.215360D+01  0.110922D+01  0.836531D+01  0.213929D+01
      2  -0.636959D+01 -0.171686D+01  0.116904D+01  0.267502D+01 -0.169732D+02
      3   0.666350D+00  0.198257D+01 -0.659642D+01 -0.173166D+01 -0.325843D+00
                26            27            28            29            30 
      1   0.971365D+01 -0.202597D+01 -0.310120D+00  0.410252D+00  0.448526D+01
      2  -0.803822D+00  0.336920D+01 -0.201714D+00  0.154122D+00  0.730921D+01
      3  -0.294444D+01 -0.750460D+00 -0.243240D+01 -0.851634D+01  0.134228D+00
                31            32            33            34            35 
      1  -0.313561D+00 -0.775003D+00 -0.903548D+01 -0.527218D+00  0.165379D+01
      2   0.179799D+01 -0.365647D+00 -0.483250D+01  0.267839D+01 -0.208283D+01
      3   0.671014D+01  0.136737D+02  0.318734D+00  0.743059D+00  0.602605D+00
                36            37            38            39            40 
      1   0.306370D+00  0.202389D+01 -0.165712D+01 -0.536516D+01 -0.277317D+01
      2  -0.910215D+00  0.181814D+01 -0.206973D+01  0.797681D+00 -0.121647D+01
      3   0.310782D+01  0.461757D+01 -0.951978D+01 -0.240489D+00  0.226844D+01
                41            42            43            44            45 
      1   0.292147D+01 -0.423254D+01 -0.697793D+01  0.531171D+01 -0.435108D+01
      2   0.169085D+01  0.827777D+00 -0.701404D+01  0.163821D+01 -0.236743D+01
      3   0.275447D+01  0.330676D+00 -0.139922D+01  0.510917D+00  0.530449D+01
                46            47            48            49            50 
      1   0.130314D+01 -0.121409D+01 -0.343809D+01 -0.775333D+00  0.547158D+00
      2   0.180625D+01 -0.398863D+00  0.599899D+01 -0.746357D+00 -0.213961D+00
      3   0.130004D+02 -0.128485D+02 -0.398646D+00 -0.745163D+01  0.183764D+01
                51            52            53            54            55 
      1  -0.518659D+01 -0.235176D+01  0.132745D+01  0.144705D+01  0.992722D-01
      2   0.115321D+01  0.334457D+01  0.220924D+01 -0.220105D+01 -0.104313D+00
      3   0.608395D+00 -0.130170D+01  0.186600D+01 -0.134605D+01 -0.634465D+00
                56            57            58            59            60 
      1  -0.743855D+00 -0.271854D+00 -0.789821D+00  0.168104D+00 -0.507829D+00
      2  -0.245167D+00  0.304912D+00  0.200675D+00  0.129582D+00  0.524737D+00
      3  -0.119680D+01  0.120533D+00  0.706077D+00  0.433818D+00  0.758875D+00
                61            62            63            64            65 
      1  -0.550425D+00  0.291468D+01  0.103125D+01  0.168411D+01 -0.505625D-01
      2  -0.242394D+01  0.300491D+00 -0.505027D+01 -0.363449D+01 -0.150762D+00
      3  -0.341022D+00  0.837862D+00  0.151068D+00  0.985226D+01 -0.340612D+01
                66            67            68            69            70 
      1  -0.221416D+01  0.185602D+00  0.636093D+00 -0.566103D+00 -0.147330D+01
      2   0.548431D+01 -0.285517D+00 -0.723815D+00 -0.305838D+00  0.150615D+01
      3  -0.204001D+01 -0.173100D-01 -0.653395D-01  0.715300D+00 -0.223345D+01
                71            72            73            74            75 
      1   0.716374D+00  0.455756D+00 -0.745372D+00 -0.266714D+00 -0.240658D+00
      2   0.972730D-01 -0.120862D+01  0.780256D+00 -0.105201D+00  0.724376D+00
      3   0.185077D+01  0.138651D+01  0.689040D+00  0.218270D+00  0.866714D+00
                76            77            78            79            80 
      1  -0.623380D-01 -0.103060D+01 -0.499979D+00 -0.911000D+00  0.252417D+01
      2  -0.117630D+00  0.103213D+01 -0.192743D+00 -0.192843D+01  0.934331D+00
      3   0.780233D+00 -0.875728D+00 -0.100179D+01  0.160027D+01 -0.231531D+01
                81            82            83            84            85 
      1  -0.109237D+02  0.112859D+01 -0.520245D+00  0.170729D+01 -0.758747D+00
      2   0.124849D+02 -0.714802D+00 -0.128236D+00 -0.235816D+00  0.187661D+00
      3   0.226711D-01 -0.452502D+01  0.424208D+01 -0.131652D+01  0.654382D+01
                86            87            88            89            90 
      1   0.306894D+01 -0.426706D+01  0.504825D+00 -0.731120D+00  0.564260D+00
      2  -0.915164D+00  0.143631D+01 -0.121509D+01  0.107438D+01 -0.341187D-01
      3  -0.139907D+02  0.213994D+01 -0.180748D+01  0.240640D+01 -0.188048D+01
                91            92            93            94            95 
      1   0.244766D+01 -0.383608D+00  0.367959D+01 -0.348998D+00  0.138608D+01
      2   0.695872D+00 -0.623545D+00  0.277447D+01 -0.422501D+00  0.420581D+00
      3  -0.133088D+01  0.124254D+00 -0.144457D+01  0.155358D+01  0.528333D-01
                96            97            98            99           100 
      1  -0.740768D+00  0.491254D+01 -0.507860D-01  0.923007D+01 -0.308281D+01
      2  -0.473111D+00  0.917414D+00 -0.157157D+01  0.613841D+01 -0.102566D+01
      3   0.574866D-02 -0.390746D+01 -0.189650D+01 -0.306131D+01 -0.490706D+01
               101           102           103           104           105 
      1   0.149156D+01  0.360170D+01  0.181046D+01 -0.108527D+01 -0.183626D+01
      2   0.132535D+01  0.293649D+01  0.935249D+00 -0.751194D+00 -0.151159D+01
      3   0.185340D+00  0.163430D+01  0.389001D+01  0.529317D+00 -0.783570D+00
               106           107           108           109           110 
      1   0.372172D+01 -0.112878D+01 -0.351376D+01 -0.137990D+01  0.960203D+00
      2   0.119639D+01 -0.154237D+01 -0.293590D+01 -0.197193D+01  0.804200D+00
      3   0.448528D+01  0.414375D+00 -0.198463D+01 -0.133943D+02  0.943477D+01
               111           112           113           114           115 
      1   0.171548D+00  0.871680D+00 -0.727470D+00 -0.163530D+01 -0.276531D+00
      2  -0.216014D+01  0.833023D+00 -0.776918D+00  0.901064D+00 -0.280602D+01
      3   0.485313D+00  0.121814D+02 -0.742678D+01  0.790885D-01  0.849086D+00
               116           117 
      1   0.489819D+00 -0.375617D-01
      2   0.871539D+00  0.223956D+00
      3  -0.766951D+00  0.351832D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.288144D+02 -0.829712D+01  0.996328D+01 -0.313081D+01  0.146548D+02
      2   0.142197D+02  0.124254D+02 -0.565120D+01  0.729924D+01 -0.162975D+02
      3   0.145947D+02 -0.412828D+01 -0.431208D+01 -0.416843D+01  0.164269D+01
      4  -0.911779D+01  0.946296D+01  0.537837D+01  0.124065D+02  0.435596D+01
      5   0.978697D+01  0.130170D+01  0.152414D+00  0.151453D+01  0.615125D+01
      6   0.718501D+01  0.148466D+01  0.445264D+00  0.150715D+01  0.823948D+01
                 6             7             8             9            10 
      1  -0.308781D+01  0.119357D+02 -0.153179D+01  0.480554D+01  0.482865D+01
      2   0.555363D+01 -0.431968D+01  0.571869D+01  0.771185D+01 -0.927027D+00
      3  -0.246582D+01 -0.761602D+01 -0.418690D+01 -0.125174D+02 -0.390162D+01
      4   0.466153D+01  0.739335D+01  0.601679D+01  0.194840D+01 -0.168037D+01
      5   0.122233D+01 -0.636845D+00  0.106048D+01 -0.178924D+02 -0.200290D+01
      6   0.282331D+01 -0.182203D+00  0.719398D+00 -0.123224D+02 -0.226970D+00
                11            12            13            14            15 
      1  -0.349335D+01  0.157289D-01 -0.167803D+00 -0.235907D+00 -0.176007D+01
      2   0.298590D+01 -0.786699D-01 -0.766258D+00 -0.586531D+01  0.405604D+00
      3   0.507454D+00  0.629410D-01  0.934062D+00  0.610122D+01  0.135446D+01
      4  -0.308497D+01 -0.128016D+01 -0.141749D+02 -0.112914D+00 -0.272113D+01
      5  -0.116141D+01  0.986425D+00 -0.194955D+01 -0.193394D+01 -0.115113D+01
      6  -0.238179D+01  0.708835D+00 -0.227227D+01 -0.201957D+01 -0.444183D+01
                16            17            18            19            20 
      1  -0.556918D+01 -0.198991D+01  0.850833D+01 -0.785423D+01 -0.221358D+01
      2  -0.727757D+00  0.121276D+01  0.953819D+01 -0.137020D+00  0.449434D+01
      3   0.629693D+01  0.777157D+00 -0.180465D+02  0.799125D+01 -0.228076D+01
      4  -0.130338D+01 -0.523308D+01 -0.227762D+01  0.756263D+01 -0.194335D+02
      5  -0.680065D+00 -0.757825D+00  0.110567D+02 -0.168301D+01  0.226152D+01
      6  -0.972784D+00  0.101774D+01  0.228051D+01 -0.298992D+00  0.654857D+00
                21            22            23            24            25 
      1  -0.198927D+01  0.102063D+02 -0.365533D-01 -0.879690D+00  0.122303D+01
      2  -0.108071D+01 -0.472101D+01 -0.917236D+01 -0.183984D+01 -0.220147D+01
      3   0.306998D+01 -0.548534D+01  0.920891D+01  0.271953D+01  0.978432D+00
      4   0.116422D+01 -0.243799D+02  0.126422D+02  0.698573D+00  0.166649D+01
      5  -0.760393D+01  0.291975D+01 -0.354190D+00  0.358362D+01  0.111569D+01
      6   0.112303D+01  0.563482D-01  0.173211D+01 -0.137883D+02 -0.206113D+00
                26            27            28            29            30 
      1   0.612134D+00 -0.612297D+01  0.235699D+02 -0.618658D+01  0.461201D+00
      2   0.683292D+00 -0.519469D+01 -0.950015D+01 -0.247418D+01 -0.410667D+00
      3  -0.129543D+01  0.113177D+02 -0.140697D+02  0.866077D+01 -0.505339D-01
      4   0.420284D+01  0.230321D+01 -0.233916D+02  0.258762D+02 -0.130038D+01
      5   0.781416D+00  0.284420D+01  0.273413D+01 -0.167528D+01  0.117783D+02
      6   0.386818D+01  0.187671D+01 -0.486730D+00  0.331800D+00 -0.643556D+01
                31            32            33            34            35 
      1  -0.107183D+02 -0.630952D+01  0.290385D-01  0.391063D+00  0.174439D+00
      2  -0.675664D+00  0.213480D+02  0.927216D+00  0.329647D+00  0.518905D+00
      3   0.113939D+02 -0.150385D+02 -0.956255D+00 -0.720710D+00 -0.693344D+00
      4   0.280961D+02 -0.356829D+02  0.910717D+00 -0.290583D+00 -0.396059D+00
      5  -0.187624D+01  0.207325D+01 -0.933332D+01  0.118056D+02 -0.906259D+01
      6   0.644862D+00 -0.327376D+00  0.139877D+02 -0.469214D+01  0.103373D+02
                36            37            38            39            40 
      1   0.387592D-01  0.266890D+01  0.883467D+01  0.150725D+01  0.646112D+01
      2  -0.201951D+01 -0.382630D+01 -0.622267D+01  0.205132D+01 -0.407056D+01
      3   0.198075D+01  0.115740D+01 -0.261200D+01 -0.355857D+01 -0.239056D+01
      4  -0.932684D+01  0.126076D+02 -0.150531D+01 -0.296835D+01  0.598405D+01
      5   0.694538D+00  0.315284D+01 -0.263757D+01 -0.567515D+01 -0.231754D+01
      6  -0.565103D+00 -0.391864D+01  0.323518D+01  0.819051D+01  0.338397D+01
                41            42            43            44            45 
      1  -0.111319D+02 -0.238570D+00  0.155303D+01 -0.164928D+01 -0.907816D+01
      2   0.212761D+02 -0.198148D+01  0.300844D+01 -0.199570D+01  0.541524D+01
      3  -0.101442D+02  0.222005D+01 -0.456147D+01  0.364498D+01  0.366292D+01
      4  -0.105500D+02  0.328124D+01 -0.526316D+01  0.379005D+01  0.928618D+01
      5   0.246683D+01  0.134147D+01 -0.692642D+01  0.432277D+01 -0.776669D+01
      6  -0.351633D+01  0.470109D+01  0.109015D+02  0.661580D+00  0.511877D+01
                46            47            48            49            50 
      1   0.213894D+02  0.275797D+01 -0.605635D-01 -0.276910D+01  0.119153D+00
      2  -0.119165D+02  0.394143D+01  0.138397D+01  0.697564D+01  0.760989D+01
      3  -0.947291D+01 -0.669940D+01 -0.132340D+01 -0.420654D+01 -0.772904D+01
      4   0.217985D+02  0.191872D+02 -0.167440D+01  0.136921D+02  0.148032D+02
      5  -0.248935D+01 -0.101178D+01  0.109163D+02  0.279553D+00 -0.133993D+01
      6  -0.131720D+01 -0.913864D+00  0.551166D+01 -0.698668D+00 -0.208254D+01
                51            52            53            54            55 
      1   0.175300D+01  0.191712D+00  0.790748D+00 -0.205754D+00  0.478231D+00
      2  -0.374961D+00  0.122076D+01 -0.931075D+00 -0.392910D+01 -0.335605D+01
      3  -0.137804D+01 -0.141247D+01  0.140327D+00  0.413486D+01  0.287782D+01
      4  -0.114695D+01 -0.191030D+01 -0.218672D+01  0.637757D+01  0.592499D+00
      5   0.358991D+01  0.968802D+01  0.595310D+01 -0.437238D+01 -0.200243D+01
      6   0.109633D+02  0.303123D+01  0.791755D+01 -0.311956D+01 -0.659785D+00
                56            57            58            59            60 
      1   0.266049D+00 -0.169454D+01 -0.249309D+00 -0.328474D+01  0.712730D+00
      2   0.560880D-01  0.123567D+01 -0.553358D-01 -0.119391D+00  0.293402D+00
      3  -0.322137D+00  0.458865D+00  0.304644D+00  0.340414D+01 -0.100613D+01
      4   0.216816D+01 -0.274288D+00  0.355376D+01  0.459465D+00 -0.136814D+01
      5  -0.269861D+00  0.638025D+01 -0.174824D+00 -0.156665D+01  0.716840D+00
      6   0.693821D+00 -0.155842D+00  0.849284D-01 -0.767547D+00  0.649790D+01
                61            62            63            64            65 
      1   0.293214D+00  0.183491D+00 -0.170582D+02  0.493196D+02  0.439288D+01
      2   0.235910D+01  0.115914D+00 -0.169342D+02 -0.240275D+02  0.580854D+00
      3  -0.265231D+01 -0.299405D+00  0.339924D+02 -0.252921D+02 -0.497374D+01
      4  -0.847885D+00 -0.196333D+01  0.597853D+00  0.225649D+02  0.113164D+02
      5   0.588574D+01  0.450158D-01 -0.134938D+02 -0.680151D+01 -0.703816D+00
      6   0.388590D+00  0.461004D+01 -0.203295D+01 -0.417819D+01 -0.734110D+00
                66            67            68            69            70 
      1  -0.775882D+01 -0.193871D+01  0.306372D+01  0.566213D+00 -0.103619D+02
      2   0.401078D+01  0.286493D+01  0.757863D+00 -0.119922D+01  0.569390D+01
      3   0.374803D+01 -0.926219D+00 -0.382158D+01  0.633003D+00  0.466801D+01
      4  -0.346467D+01  0.689050D+01  0.273840D+01 -0.212129D+01 -0.542259D+01
      5   0.926921D+01 -0.283066D+00 -0.195110D+01 -0.412400D+00  0.896410D+01
      6   0.427077D+01 -0.611099D+00 -0.111044D+01  0.949969D+00  0.349008D+01
                71            72            73            74            75 
      1  -0.921003D-01  0.500415D+01  0.366602D+01  0.135879D+01  0.223709D+01
      2  -0.165700D+01 -0.506951D+01 -0.376291D+01 -0.167344D+01 -0.124473D+01
      3   0.174910D+01  0.653615D-01  0.968924D-01  0.314653D+00 -0.992364D+00
      4  -0.433029D+01  0.282556D+01  0.187945D+01  0.807088D-01  0.144540D+01
      5   0.106125D+01 -0.399963D+01  0.167034D+01  0.324224D+00  0.492224D+01
      6   0.171549D+01 -0.105455D+01  0.116587D+01 -0.398861D+00  0.498236D+00
                76            77            78            79            80 
      1  -0.316279D+00 -0.379513D+01 -0.138524D+01  0.336996D+01 -0.255335D+01
      2   0.862711D-01  0.209386D+01  0.251883D+01 -0.299270D+01  0.275721D+01
      3   0.230008D+00  0.170127D+01 -0.113359D+01 -0.377256D+00 -0.203852D+00
      4   0.304503D+00  0.146945D+00  0.239645D+01  0.379000D+01  0.532477D+01
      5  -0.843001D+00  0.193961D+01 -0.530787D+00  0.771152D+01  0.252838D+01
      6   0.384101D+00  0.105943D+01  0.490712D+01  0.220653D+01  0.716859D+01
                81            82            83            84            85 
      1  -0.119588D+02 -0.123851D+01  0.741116D+01 -0.186332D+01  0.667335D+01
      2  -0.132364D+02  0.348178D+01 -0.106472D+02  0.186395D+01 -0.651289D+01
      3   0.251952D+02 -0.224327D+01  0.323603D+01 -0.633249D-03 -0.160460D+00
      4   0.185178D+01 -0.196764D+01 -0.863527D-01 -0.125121D+01  0.463672D+01
      5   0.236018D+02 -0.130809D+01  0.324285D+00 -0.638473D+00  0.819946D+00
      6   0.184221D+02 -0.155993D+01  0.740693D+00 -0.266698D+01  0.459241D+00
                86            87            88            89            90 
      1  -0.225849D+02  0.308507D+01 -0.253758D+01  0.384195D+01 -0.470468D+01
      2   0.379938D+02 -0.510730D+01  0.138225D+01 -0.591166D+01  0.322156D+01
      3  -0.154090D+02  0.202223D+01  0.115534D+01  0.206971D+01  0.148311D+01
      4   0.138455D+02 -0.171766D+01 -0.230668D+01 -0.315792D+01  0.104670D+01
      5  -0.324828D+01  0.333916D+01  0.899623D+00  0.205919D+01  0.373085D+00
      6  -0.379117D+01  0.691695D+01 -0.120373D+01  0.700701D+01 -0.249322D+01
                91            92            93            94            95 
      1   0.538313D+01 -0.227058D+01  0.357872D+01 -0.195722D+01 -0.129570D+01
      2  -0.318456D+01  0.340602D+00 -0.289117D+01  0.666799D+00  0.153537D+01
      3  -0.219856D+01  0.192997D+01 -0.687549D+00  0.129042D+01 -0.239673D+00
      4  -0.656910D+01  0.515105D+01 -0.419924D+01  0.349139D+01 -0.186008D+01
      5   0.657271D+01 -0.247913D+01  0.876298D+01 -0.793942D+00  0.198404D+01
      6  -0.372592D+01  0.192308D+01 -0.570333D+01  0.175301D+01 -0.140361D+01
                96            97            98            99           100 
      1   0.175802D+00  0.565022D+01  0.822309D+00  0.973953D+00  0.135270D+02
      2  -0.109699D+01 -0.574437D+01 -0.118782D+01 -0.803396D+01 -0.348700D+01
      3   0.921190D+00  0.941529D-01  0.365509D+00  0.706001D+01 -0.100400D+02
      4   0.250873D+01 -0.672806D+01  0.620481D+01 -0.715674D+01 -0.180822D+02
      5  -0.983607D+00  0.101019D+02 -0.427471D+01  0.173809D+02 -0.932745D+01
      6   0.331408D+01 -0.699218D+01  0.504603D+01 -0.141928D+02  0.717157D+01
               101           102           103           104           105 
      1  -0.565787D+01 -0.469267D+01 -0.516345D+01  0.362828D+00  0.100295D+01
      2  -0.111487D+01  0.111022D+01 -0.489847D+00  0.468248D+01  0.146642D+01
      3   0.677274D+01  0.358244D+01  0.565330D+01 -0.504531D+01 -0.246937D+01
      4   0.144609D+02  0.723268D+01  0.119446D+02 -0.913269D+01 -0.514117D+01
      5   0.537045D+01  0.848318D+01  0.356383D+01 -0.420645D+01 -0.318715D+01
      6  -0.496222D+01 -0.608709D+01 -0.476142D+01  0.461679D+01  0.480267D+01
               106           107           108           109           110 
      1  -0.629088D+01  0.127378D+01  0.255576D+01 -0.889349D+01  0.155728D+01
      2   0.260645D+01  0.125451D+01 -0.248975D+01  0.740842D+01 -0.192212D+01
      3   0.368443D+01 -0.252829D+01 -0.660149D-01  0.148507D+01  0.364843D+00
      4   0.105526D+02 -0.850156D+01 -0.838300D+01 -0.735214D+01 -0.326287D+01
      5   0.974659D+01 -0.595571D+01 -0.903167D+01  0.128562D+01 -0.217986D+00
      6  -0.781545D+01  0.686844D+01  0.799039D+01  0.849895D+00  0.326746D+00
               111           112           113           114           115 
      1  -0.253596D+00  0.384028D+01 -0.974658D+01  0.409673D+00  0.426353D+00
      2  -0.240175D-01 -0.214161D+01  0.145979D+02 -0.331516D+00 -0.339814D+00
      3   0.277614D+00 -0.169867D+01 -0.485135D+01 -0.781562D-01 -0.865397D-01
      4   0.617377D+00  0.607704D+01  0.719156D+01 -0.653019D+00  0.670160D+00
      5  -0.324561D+01 -0.859455D+00 -0.144508D-01  0.180506D+01  0.847260D+00
      6   0.300493D+00 -0.342278D+00 -0.120389D+01  0.285409D+01  0.891414D+00
               116           117 
      1   0.500690D+00 -0.241661D+01
      2  -0.194918D+00  0.136156D+01
      3  -0.305772D+00  0.105505D+01
      4   0.229702D+00  0.906940D+00
      5   0.108402D+01  0.193172D+00
      6   0.339321D+01 -0.482568D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 26 17:39:07 2021, MaxMem=  5368709120 cpu:            2134.8 elap:             267.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30121 -19.24577 -14.47403 -10.42833 -10.36273
 Alpha  occ. eigenvalues --  -10.30864  -1.19401  -1.11033  -1.01802  -0.85963
 Alpha  occ. eigenvalues --   -0.75881  -0.69034  -0.64636  -0.60139  -0.57120
 Alpha  occ. eigenvalues --   -0.54762  -0.52731  -0.51024  -0.49550  -0.46237
 Alpha  occ. eigenvalues --   -0.45207  -0.40317  -0.39334  -0.34920
 Alpha virt. eigenvalues --    0.06033   0.08782   0.10823   0.11128   0.11632
 Alpha virt. eigenvalues --    0.15003   0.15900   0.16087   0.17297   0.18548
 Alpha virt. eigenvalues --    0.19790   0.21025   0.21291   0.22540   0.22739
 Alpha virt. eigenvalues --    0.23641   0.24375   0.24921   0.27366   0.28749
 Alpha virt. eigenvalues --    0.29809   0.30728   0.31270   0.33051   0.35034
 Alpha virt. eigenvalues --    0.35630   0.36484   0.37054   0.37428   0.38750
 Alpha virt. eigenvalues --    0.38885   0.40967   0.41994   0.42667   0.43061
 Alpha virt. eigenvalues --    0.44181   0.44911   0.45655   0.45800   0.46876
 Alpha virt. eigenvalues --    0.48944   0.49238   0.50042   0.51858   0.53315
 Alpha virt. eigenvalues --    0.54023   0.54891   0.55332   0.55713   0.57029
 Alpha virt. eigenvalues --    0.57597   0.58680   0.60312   0.60439   0.61261
 Alpha virt. eigenvalues --    0.62957   0.63231   0.65068   0.65469   0.67780
 Alpha virt. eigenvalues --    0.68868   0.69413   0.71466   0.73299   0.73936
 Alpha virt. eigenvalues --    0.75854   0.77263   0.78605   0.80515   0.82085
 Alpha virt. eigenvalues --    0.82764   0.83656   0.84292   0.89740   0.90299
 Alpha virt. eigenvalues --    0.93484   0.96369   0.97061   1.02311   1.04053
 Alpha virt. eigenvalues --    1.07373   1.08873   1.10022   1.10830   1.13228
 Alpha virt. eigenvalues --    1.16950   1.17675   1.21172   1.22260   1.24176
 Alpha virt. eigenvalues --    1.28399   1.30994   1.36382   1.38799   1.42028
 Alpha virt. eigenvalues --    1.48946   1.53481   1.54676   1.59667   1.61017
 Alpha virt. eigenvalues --    1.65245   1.67732   1.71107   1.73022   1.75503
 Alpha virt. eigenvalues --    1.78658   1.80168   1.83081   1.84202   1.89620
 Alpha virt. eigenvalues --    1.90089   1.94146   1.94320   1.96621   2.01049
 Alpha virt. eigenvalues --    2.02990   2.04984   2.05184   2.06689   2.08331
 Alpha virt. eigenvalues --    2.13077   2.15790   2.16476   2.21227   2.22983
 Alpha virt. eigenvalues --    2.26182   2.27130   2.30421   2.34774   2.43317
 Alpha virt. eigenvalues --    2.43681   2.47021   2.49437   2.51670   2.56807
 Alpha virt. eigenvalues --    2.63776   2.69743   2.70951   2.75150   2.90768
 Alpha virt. eigenvalues --    2.92805   2.95359   2.97220   3.03039   3.05829
 Alpha virt. eigenvalues --    3.10218   3.14204   3.15181   3.20653   3.21359
 Alpha virt. eigenvalues --    3.26223   3.35294   3.45486   3.54675   3.63476
 Alpha virt. eigenvalues --    3.69263   3.91797   4.04196
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.167211   0.469610  -0.055634  -0.002620  -0.025919   0.005728
     2  C    0.469610   5.401429  -0.086392  -0.008756   0.029207  -0.029968
     3  C   -0.055634  -0.086392   5.135111   0.272206  -0.085152   0.057436
     4  O   -0.002620  -0.008756   0.272206   8.265815   0.006178   0.009625
     5  N   -0.025919   0.029207  -0.085152   0.006178   7.186402   0.012141
     6  O    0.005728  -0.029968   0.057436   0.009625   0.012141   8.169514
     7  H    0.021248   0.337504  -0.001584  -0.010776   0.000852   0.007481
     8  H    0.307604   0.082909  -0.008314   0.005571   0.011680   0.000756
     9  H    0.283476   0.067579   0.047737  -0.003030  -0.009304  -0.010794
    10  H    0.322851   0.083917  -0.053866   0.009590  -0.000850   0.006379
    11  H   -0.030644   0.007151   0.013290  -0.003470   0.221928  -0.012128
    12  H   -0.001141   0.119264   0.012369  -0.000041   0.135378  -0.000776
    13  H    0.001220  -0.032462   0.131841  -0.021706  -0.039573   0.195214
               7          8          9         10         11         12
     1  C    0.021248   0.307604   0.283476   0.322851  -0.030644  -0.001141
     2  C    0.337504   0.082909   0.067579   0.083917   0.007151   0.119264
     3  C   -0.001584  -0.008314   0.047737  -0.053866   0.013290   0.012369
     4  O   -0.010776   0.005571  -0.003030   0.009590  -0.003470  -0.000041
     5  N    0.000852   0.011680  -0.009304  -0.000850   0.221928   0.135378
     6  O    0.007481   0.000756  -0.010794   0.006379  -0.012128  -0.000776
     7  H    0.672312  -0.029377   0.007311   0.010054   0.017039  -0.030951
     8  H   -0.029377   0.626988   0.002532  -0.018125  -0.005326   0.000435
     9  H    0.007311   0.002532   0.604608  -0.000503   0.005306   0.001838
    10  H    0.010054  -0.018125  -0.000503   0.610405   0.002152  -0.000505
    11  H    0.017039  -0.005326   0.005306   0.002152   0.729255  -0.107610
    12  H   -0.030951   0.000435   0.001838  -0.000505  -0.107610   0.725207
    13  H   -0.007962  -0.000741   0.003383  -0.000770  -0.017578   0.004841
              13
     1  C    0.001220
     2  C   -0.032462
     3  C    0.131841
     4  O   -0.021706
     5  N   -0.039573
     6  O    0.195214
     7  H   -0.007962
     8  H   -0.000741
     9  H    0.003383
    10  H   -0.000770
    11  H   -0.017578
    12  H    0.004841
    13  H    0.510814
 Mulliken charges:
               1
     1  C    0.537011
     2  C   -0.440992
     3  C    0.620951
     4  O   -0.518587
     5  N   -0.442967
     6  O   -0.410608
     7  H    0.006849
     8  H    0.023407
     9  H   -0.000140
    10  H    0.029270
    11  H    0.180634
    12  H    0.141694
    13  H    0.273478
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.589548
     2  C   -0.434143
     3  C    0.620951
     4  O   -0.518587
     5  N   -0.120639
     6  O   -0.137129
 Electronic spatial extent (au):  <R**2>=            579.5449
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.1282    Y=              2.0616    Z=              0.3350  Tot=              5.5372
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -39.8029   YY=            -37.8670   ZZ=            -33.9572
   XY=              0.4711   XZ=              0.1848   YZ=              0.2386
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.5938   YY=             -0.6580   ZZ=              3.2518
   XY=              0.4711   XZ=              0.1848   YZ=              0.2386
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.2046  YYY=              9.1597  ZZZ=              0.0560  XYY=             -6.9442
  XXY=              8.6165  XXZ=              1.6688  XZZ=             -1.5993  YZZ=              2.7917
  YYZ=             -0.3140  XYZ=              0.2870
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -392.1395 YYYY=           -274.8311 ZZZZ=            -58.4201 XXXY=            -13.3020
 XXXZ=             -2.7193 YYYX=              0.5612 YYYZ=             -1.3751 ZZZX=              0.3162
 ZZZY=             -0.9612 XXYY=           -110.5646 XXZZ=            -70.3561 YYZZ=            -55.1190
 XXYZ=              1.7549 YYXZ=             -2.3182 ZZXY=             -5.5189
 N-N= 2.501873150250D+02 E-N=-1.255959004027D+03  KE= 3.202574759272D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 26 17:39:08 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.96943793D+00 8.18549406D-01 1.30345559D-01
 Polarizability= 5.46563633D+01-1.15538800D+00 5.65123544D+01
                -5.26764103D-01-6.03702994D-01 4.12617202D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.2055    0.2061       -0.5778   -0.5776
 2     -0.2055   -0.2061        0.2871    0.2873        0.9038    0.9040
 3      0.5778    0.5776        7.0186    7.0173       -0.2871   -0.2873
 4     -0.2871   -0.2873       -0.0000    0.0000        0.5778    0.5776
 5     -7.9224   -7.9212       -0.5778   -0.5776        0.2056    0.2061
 6      0.2871    0.2873       -0.2056   -0.2061       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6182   -0.6182       -1.7328   -1.7328
 2     -0.8620   -0.8620        0.0000    0.0000       -1.7328   -1.7328
 3     -0.8620   -0.8620       -0.6182   -0.6182        0.0000    0.0000
 4     -0.6182   -0.6182        0.8620    0.8620        2.7119    2.7119
 5      1.7328    1.7328       21.0518   21.0518       -0.8620   -0.8620
 6    -23.7637  -23.7637       -1.7328   -1.7328        0.6182    0.6182
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0864    0.0000       -0.7079   -0.8242        2.3596    2.3104
 2      0.6546    0.8242       -1.1962   -1.1493       -3.8486   -3.6159
 3     -2.2478   -2.3104      -28.0346  -28.0690        1.0090    1.1493
 4      1.3433    1.1493        0.1930    0.0000       -2.2966   -2.3104
 5     31.6994   31.6849        2.2337    2.3104       -0.9080   -0.8242
 6     -1.0569   -1.1493        0.7998    0.8242       -0.0137    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0128    0.0000        8.0978    8.1135        0.9851    0.9599
 2     -8.1163   -8.1135       -8.2721   -8.2465        4.5307    4.5357
 3     -0.9689   -0.9599        1.2793    1.2638        8.1848    8.2465
 4      8.2293    8.2465        0.1428    0.0000       -0.8994   -0.9599
 5     -5.6612   -5.7995        1.1730    0.9599        7.8070    8.1135
 6     -8.3245   -8.2465       -8.0390   -8.1135       -0.0550    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.0464    9.1808        4.7786    4.7360        1.0545    1.0903
 2     20.1733   20.2082        7.8998    7.9158        1.1639    1.0903
 3     20.1893   20.2082        4.6825    4.7360       -1.8420   -1.9413
 4     -3.1244   -3.1798      -10.9672  -11.0274        0.2946    0.2069
 5     -2.9907   -3.0316        6.6120    6.8174       10.9679   11.0274
 6     -6.8554   -7.0243        3.4281    3.0316        2.7852    3.1798
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9766   -0.0008    0.0003    0.0007    2.6910    4.5146
 Low frequencies ---   57.7836  231.1366  274.9887
 Diagonal vibrational polarizability:
       20.2455547      13.5041867       8.5723095
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     57.7832               231.1366               274.9887
 Red. masses --      3.6767                 1.1212                 1.4513
 Frc consts  --      0.0072                 0.0353                 0.0647
 IR Inten    --      1.0398                 0.4118                18.0214
 RamAct Fr= 1--      0.3797                 0.1327                 0.3074
  Dep-P Fr= 1--      0.7413                 0.6934                 0.7426
  Dep-U Fr= 1--      0.8515                 0.8190                 0.8523
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0539                 0.0181                 0.0437
 AlphaG Fr= 1--     -0.0005                -0.0012                -0.0008
 Gamma2 Fr= 1--      0.2255                 0.0663                 0.0731
 Delta2 Fr= 1--      0.1552                 0.0106                -0.0516
 Raman1 Fr= 1--       1.519                  0.531                  1.230
 ROA1   Fr= 1--      26.619                  6.702                  5.363
 CID1   Fr= 1--      17.525                 12.626                  4.361
 Raman2 Fr= 1--       0.647                  0.217                  0.524
 ROA2   Fr= 1--       4.171                  1.506                  2.166
 CID2   Fr= 1--       6.450                  6.928                  4.134
 Raman3 Fr= 1--       1.293                  0.435                  1.048
 ROA3   Fr= 1--      26.619                  6.702                  5.363
 CID3   Fr= 1--      20.582                 15.417                  5.117
 RC180  Fr= 1--       0.703                  0.638                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.20     0.05  -0.00  -0.01     0.10  -0.02  -0.02
     2   6     0.00   0.03  -0.02    -0.00   0.00   0.04    -0.01   0.03   0.03
     3   6    -0.01   0.01  -0.03    -0.01   0.01   0.02    -0.03   0.02   0.02
     4   8    -0.05  -0.01  -0.23    -0.02  -0.00  -0.02    -0.09  -0.01   0.01
     5   7     0.00  -0.01  -0.17     0.00   0.00   0.04    -0.02   0.03   0.06
     6   8     0.06   0.04   0.24    -0.01  -0.00  -0.04     0.03  -0.02  -0.07
     7   1     0.04   0.21   0.00    -0.03  -0.01   0.03    -0.03   0.03   0.03
     8   1    -0.01   0.01   0.21    -0.09   0.29  -0.47     0.13  -0.26   0.10
     9   1    -0.04  -0.26   0.19     0.55  -0.29  -0.02    -0.03   0.13  -0.01
    10   1    -0.03  -0.02   0.35    -0.27  -0.02   0.42     0.31   0.03  -0.19
    11   1     0.30  -0.06  -0.30     0.13   0.03  -0.02     0.50   0.13  -0.18
    12   1    -0.25  -0.09  -0.39    -0.11  -0.07  -0.04    -0.48  -0.27  -0.27
    13   1     0.08   0.06   0.26     0.01   0.01   0.04     0.13   0.06   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    279.6225               354.5659               410.0805
 Red. masses --      1.9824                 3.4332                 2.6035
 Frc consts  --      0.0913                 0.2543                 0.2580
 IR Inten    --     11.5845                11.4006                 4.4021
 RamAct Fr= 1--      0.4823                 0.9570                 0.4490
  Dep-P Fr= 1--      0.4905                 0.2157                 0.5157
  Dep-U Fr= 1--      0.6582                 0.3549                 0.6805
 Alpha2 Fr= 1--      0.0025                 0.0125                 0.0021
 Beta2  Fr= 1--      0.0529                 0.0566                 0.0509
 AlphaG Fr= 1--      0.0069                 0.0119                 0.0030
 Gamma2 Fr= 1--     -0.0027                -0.2225                 0.1054
 Delta2 Fr= 1--     -0.0311                -0.0927                -0.0430
 Raman1 Fr= 1--       1.929                  3.828                  1.796
 ROA1   Fr= 1--      -1.250                -24.328                  8.743
 CID1   Fr= 1--      -0.648                 -6.355                  4.868
 Raman2 Fr= 1--       0.635                  0.679                  0.611
 ROA2   Fr= 1--       0.185                 -4.599                  2.874
 CID2   Fr= 1--       0.291                 -6.772                  4.704
 Raman3 Fr= 1--       1.270                  1.358                  1.222
 ROA3   Fr= 1--      -1.250                -24.328                  8.743
 CID3   Fr= 1--      -0.985                -17.910                  7.153
 RC180  Fr= 1--       0.316                 -0.290                  0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.04  -0.00    -0.10  -0.01   0.01     0.01   0.19  -0.02
     2   6    -0.01   0.07   0.02     0.02   0.01  -0.14     0.04   0.01   0.19
     3   6    -0.03   0.03   0.01     0.04   0.04  -0.10     0.04  -0.01   0.10
     4   8    -0.14  -0.04  -0.04     0.01   0.03   0.08     0.03  -0.01  -0.07
     5   7    -0.08   0.03  -0.03    -0.23  -0.03   0.09    -0.13  -0.14  -0.09
     6   8     0.07  -0.03   0.03     0.26  -0.01   0.00     0.04  -0.03  -0.02
     7   1    -0.02   0.07   0.02     0.17  -0.06  -0.14    -0.03   0.06   0.19
     8   1     0.15  -0.22  -0.06    -0.09   0.22   0.05    -0.02   0.26  -0.09
     9   1     0.24  -0.05  -0.00    -0.15  -0.19   0.00     0.08   0.52   0.00
    10   1     0.34   0.05   0.03    -0.26  -0.04   0.16    -0.16   0.03  -0.29
    11   1    -0.57  -0.11   0.19    -0.20   0.06   0.07    -0.14  -0.49  -0.08
    12   1     0.33   0.27   0.27    -0.37  -0.38   0.13    -0.20  -0.10  -0.19
    13   1     0.10   0.00  -0.15     0.43   0.14  -0.02     0.06  -0.01  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    530.6052               568.8183               739.1148
 Red. masses --      5.7938                 3.8666                 5.1151
 Frc consts  --      0.9611                 0.7371                 1.6464
 IR Inten    --      1.3248                 4.3907                 8.5197
 RamAct Fr= 1--      3.1458                 3.1035                 3.1577
  Dep-P Fr= 1--      0.3834                 0.3286                 0.0611
  Dep-U Fr= 1--      0.5543                 0.4946                 0.1152
 Alpha2 Fr= 1--      0.0247                 0.0292                 0.0607
 Beta2  Fr= 1--      0.2906                 0.2559                 0.0606
 AlphaG Fr= 1--     -0.0270                 0.0111                 0.0230
 Gamma2 Fr= 1--      0.0870                -0.2177                -0.3556
 Delta2 Fr= 1--      0.0647                 0.0194                 0.0140
 Raman1 Fr= 1--      12.583                 12.414                 12.631
 ROA1   Fr= 1--      10.425                -20.278                -33.685
 CID1   Fr= 1--       0.828                 -1.633                 -2.667
 Raman2 Fr= 1--       3.487                  3.070                  0.727
 ROA2   Fr= 1--       1.571                 -5.380                 -8.645
 CID2   Fr= 1--       0.450                 -1.752                -11.888
 Raman3 Fr= 1--       6.975                  6.140                  1.454
 ROA3   Fr= 1--      10.425                -20.278                -33.685
 CID3   Fr= 1--       1.495                 -3.302                -23.160
 RC180  Fr= 1--       0.109                 -0.011                 -0.770
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.02    -0.14  -0.17  -0.05    -0.05  -0.07  -0.05
     2   6    -0.18   0.14  -0.00    -0.19  -0.06   0.13     0.06   0.01  -0.08
     3   6     0.02  -0.17   0.06    -0.05   0.10   0.17     0.28   0.03   0.36
     4   8     0.34  -0.02  -0.08     0.03   0.16  -0.09    -0.05  -0.21  -0.08
     5   7    -0.20   0.24   0.00     0.09  -0.02  -0.01    -0.08   0.08  -0.01
     6   8    -0.05  -0.21   0.02     0.19  -0.04  -0.08    -0.01   0.18  -0.11
     7   1    -0.28   0.23  -0.01    -0.42  -0.10   0.12    -0.40  -0.06  -0.11
     8   1    -0.01  -0.29  -0.09    -0.17  -0.28  -0.12     0.04   0.12   0.24
     9   1     0.14  -0.10   0.01    -0.07  -0.10  -0.05    -0.34  -0.30  -0.06
    10   1     0.31   0.18   0.14    -0.07  -0.15  -0.09    -0.14  -0.08   0.08
    11   1    -0.12   0.34  -0.04     0.10   0.00  -0.01    -0.11   0.21   0.00
    12   1    -0.27   0.13  -0.00     0.25   0.37  -0.05    -0.07  -0.08   0.09
    13   1     0.03  -0.13   0.09     0.39   0.15  -0.11    -0.27  -0.07   0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    804.7202               846.5321               880.2916
 Red. masses --      3.3143                 1.5049                 1.2290
 Frc consts  --      1.2645                 0.6354                 0.5611
 IR Inten    --      6.5787               111.7083                72.3814
 RamAct Fr= 1--      8.5088                 0.9287                 1.8602
  Dep-P Fr= 1--      0.0566                 0.3272                 0.4227
  Dep-U Fr= 1--      0.1071                 0.4931                 0.5942
 Alpha2 Fr= 1--      0.1655                 0.0088                 0.0127
 Beta2  Fr= 1--      0.1519                 0.0763                 0.1842
 AlphaG Fr= 1--     -0.0599                -0.0401                 0.0494
 Gamma2 Fr= 1--     -0.0917                -0.3383                 0.1019
 Delta2 Fr= 1--      0.0973                -0.1836                 0.0503
 Raman1 Fr= 1--      34.035                  3.715                  7.441
 ROA1   Fr= 1--      -5.687                -38.354                 11.390
 CID1   Fr= 1--      -0.167                -10.325                  1.531
 Raman2 Fr= 1--       1.823                  0.916                  2.211
 ROA2   Fr= 1--      -2.978                 -6.651                  2.043
 CID2   Fr= 1--      -1.634                 -7.263                  0.924
 Raman3 Fr= 1--       3.645                  1.832                  4.421
 ROA3   Fr= 1--      -5.687                -38.354                 11.390
 CID3   Fr= 1--      -1.560                -20.941                  2.576
 RC180  Fr= 1--      -0.786                 -0.014                  0.188
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.08  -0.00     0.03   0.07   0.02    -0.02  -0.05  -0.00
     2   6     0.11  -0.01  -0.16    -0.06   0.03  -0.04     0.04  -0.02   0.04
     3   6    -0.13   0.05   0.21     0.01  -0.00  -0.01    -0.01  -0.00  -0.02
     4   8    -0.01   0.15  -0.06     0.01  -0.01   0.01    -0.00   0.01   0.02
     5   7     0.05  -0.05  -0.01    -0.05  -0.15   0.00     0.02   0.08  -0.05
     6   8    -0.07  -0.18  -0.01     0.00   0.01  -0.04    -0.01  -0.01  -0.04
     7   1    -0.14  -0.14  -0.18    -0.10   0.03  -0.04     0.06   0.04   0.04
     8   1     0.21   0.37   0.36     0.04   0.06   0.05    -0.03  -0.01  -0.06
     9   1    -0.26  -0.20  -0.02     0.01   0.01   0.02     0.02   0.07   0.00
    10   1    -0.03   0.08   0.18     0.08   0.11   0.08    -0.10  -0.12  -0.11
    11   1    -0.17  -0.02   0.09     0.26   0.39  -0.11    -0.30  -0.21   0.09
    12   1     0.02  -0.40   0.16     0.34   0.41   0.08    -0.03  -0.14   0.04
    13   1     0.21   0.08   0.06     0.06   0.04   0.62     0.18   0.14   0.84
                     13                     14                     15
                      A                      A                      A
 Frequencies --    939.2088              1020.8481              1081.8120
 Red. masses --      1.4698                 1.3096                 2.3447
 Frc consts  --      0.7639                 0.8041                 1.6168
 IR Inten    --     36.1213                 0.6787                44.5061
 RamAct Fr= 1--      2.2329                 1.1660                 2.4157
  Dep-P Fr= 1--      0.3733                 0.3036                 0.7246
  Dep-U Fr= 1--      0.5436                 0.4658                 0.8403
 Alpha2 Fr= 1--      0.0181                 0.0118                 0.0011
 Beta2  Fr= 1--      0.2023                 0.0905                 0.3383
 AlphaG Fr= 1--      0.0248                -0.0052                -0.0048
 Gamma2 Fr= 1--      0.5661                -0.3395                 0.3430
 Delta2 Fr= 1--      0.3850                -0.3262                 0.0406
 Raman1 Fr= 1--       8.931                  4.664                  9.663
 ROA1   Fr= 1--      66.667                -43.028                 34.229
 CID1   Fr= 1--       7.464                 -9.226                  3.542
 Raman2 Fr= 1--       2.428                  1.086                  4.060
 ROA2   Fr= 1--      10.507                 -5.537                  7.907
 CID2   Fr= 1--       4.328                 -5.098                  1.948
 Raman3 Fr= 1--       4.856                  2.172                  8.120
 ROA3   Fr= 1--      66.667                -43.028                 34.229
 CID3   Fr= 1--      13.730                -19.807                  4.215
 RC180  Fr= 1--       0.087                 -0.068                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.12   0.01    -0.06  -0.01   0.07    -0.13  -0.05  -0.10
     2   6     0.10  -0.01   0.02    -0.01   0.04  -0.08     0.15   0.20   0.02
     3   6    -0.01   0.02   0.01     0.00   0.00   0.07     0.06   0.06   0.03
     4   8    -0.01   0.03  -0.01    -0.00  -0.00  -0.01    -0.02   0.03  -0.01
     5   7    -0.08   0.04  -0.01     0.04  -0.06  -0.01    -0.03  -0.06   0.04
     6   8    -0.02  -0.05   0.02    -0.00   0.01  -0.01    -0.05  -0.09   0.01
     7   1     0.19   0.17   0.03     0.14   0.44  -0.04     0.50   0.12   0.04
     8   1     0.04   0.30  -0.02    -0.19  -0.26  -0.32    -0.14  -0.37  -0.11
     9   1    -0.04   0.26   0.03     0.31   0.32   0.09    -0.06  -0.36  -0.12
    10   1    -0.38  -0.39  -0.30     0.08  -0.02  -0.20     0.16   0.13   0.08
    11   1     0.18   0.41  -0.12    -0.09   0.26   0.05     0.16  -0.33  -0.03
    12   1     0.10   0.32   0.02     0.06  -0.42   0.21     0.03   0.30  -0.11
    13   1    -0.02  -0.04  -0.12     0.01   0.02  -0.06    -0.05  -0.08   0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1147.1333              1212.9292              1234.4147
 Red. masses --      2.3237                 2.3184                 1.8866
 Frc consts  --      1.8016                 2.0096                 1.6938
 IR Inten    --     10.8472                19.4995                 9.6585
 RamAct Fr= 1--      1.4724                 4.3878                 3.1307
  Dep-P Fr= 1--      0.5922                 0.3905                 0.4136
  Dep-U Fr= 1--      0.7439                 0.5617                 0.5851
 Alpha2 Fr= 1--      0.0043                 0.0336                 0.0221
 Beta2  Fr= 1--      0.1825                 0.4107                 0.3053
 AlphaG Fr= 1--     -0.0059                 0.0112                -0.0076
 Gamma2 Fr= 1--      0.2860                -1.3596                 1.2239
 Delta2 Fr= 1--     -0.3274                -0.1731                -0.1382
 Raman1 Fr= 1--       5.890                 17.551                 12.523
 ROA1   Fr= 1--      16.980               -136.060                113.074
 CID1   Fr= 1--       2.883                 -7.752                  9.029
 Raman2 Fr= 1--       2.190                  4.929                  3.664
 ROA2   Fr= 1--       9.483                -31.246                 30.479
 CID2   Fr= 1--       4.329                 -6.339                  8.319
 Raman3 Fr= 1--       4.381                  9.858                  7.328
 ROA3   Fr= 1--      16.980               -136.060                113.074
 CID3   Fr= 1--       3.876                -13.803                 15.431
 RC180  Fr= 1--       0.488                  0.123                  0.170
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.09  -0.08     0.01   0.00  -0.02    -0.06   0.04  -0.09
     2   6    -0.06   0.24   0.05    -0.04  -0.01   0.07     0.14  -0.07   0.15
     3   6    -0.07  -0.07  -0.05     0.20   0.15  -0.12    -0.08  -0.05  -0.02
     4   8     0.04  -0.04   0.01    -0.06   0.06   0.01     0.01  -0.00   0.01
     5   7     0.07  -0.09   0.03     0.02  -0.02  -0.02    -0.04   0.00  -0.08
     6   8    -0.00   0.06   0.01    -0.01  -0.13   0.03     0.01   0.04   0.00
     7   1    -0.34   0.45   0.05    -0.51   0.22   0.05    -0.06   0.21   0.16
     8   1     0.14   0.31   0.16     0.02   0.01   0.05     0.02  -0.20   0.14
     9   1    -0.35  -0.11  -0.08    -0.08  -0.04  -0.02    -0.05  -0.33  -0.10
    10   1    -0.29  -0.23  -0.02    -0.06  -0.01   0.04     0.15   0.21   0.20
    11   1    -0.05  -0.10   0.09    -0.11   0.23   0.03    -0.01   0.61  -0.08
    12   1     0.04  -0.28   0.10    -0.02  -0.34   0.12     0.12  -0.28   0.23
    13   1     0.09   0.12  -0.07    -0.40  -0.45   0.12     0.12   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1315.1035              1391.3533              1410.0174
 Red. masses --      1.3934                 1.2704                 1.3168
 Frc consts  --      1.4199                 1.4490                 1.5425
 IR Inten    --     10.3296                 6.8389                91.6185
 RamAct Fr= 1--      3.4210                 4.2560                 2.0912
  Dep-P Fr= 1--      0.6813                 0.7398                 0.4100
  Dep-U Fr= 1--      0.8105                 0.8504                 0.5816
 Alpha2 Fr= 1--      0.0041                 0.0007                 0.0149
 Beta2  Fr= 1--      0.4621                 0.6032                 0.2027
 AlphaG Fr= 1--      0.0056                -0.0043                -0.0088
 Gamma2 Fr= 1--     -0.0453                 1.2974                 0.6506
 Delta2 Fr= 1--     -0.0056                -0.6506                -0.0218
 Raman1 Fr= 1--      13.684                 17.024                  8.365
 ROA1   Fr= 1--      -4.527                103.734                 61.764
 CID1   Fr= 1--      -0.331                  6.093                  7.384
 Raman2 Fr= 1--       5.545                  7.239                  2.432
 ROA2   Fr= 1--      -1.042                 36.343                 15.790
 CID2   Fr= 1--      -0.188                  5.020                  6.492
 Raman3 Fr= 1--      11.090                 14.478                  4.865
 ROA3   Fr= 1--      -4.527                103.734                 61.764
 CID3   Fr= 1--      -0.408                  7.165                 12.697
 RC180  Fr= 1--       0.621                  0.701                  0.163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02  -0.07    -0.03   0.01  -0.01    -0.06  -0.10  -0.04
     2   6    -0.14  -0.08   0.01     0.06  -0.10  -0.05     0.02   0.03   0.01
     3   6     0.01   0.01   0.04    -0.02  -0.01  -0.01    -0.06  -0.04   0.01
     4   8    -0.00   0.01  -0.01    -0.00   0.01   0.00     0.00   0.03  -0.00
     5   7     0.02   0.01  -0.00    -0.01   0.01   0.07    -0.00   0.00  -0.01
     6   8     0.02   0.00  -0.01     0.00   0.01  -0.00     0.06   0.02  -0.01
     7   1     0.76   0.46   0.11    -0.38   0.75  -0.03     0.02  -0.12  -0.00
     8   1     0.12   0.10   0.16     0.03   0.08   0.10     0.03   0.44   0.18
     9   1    -0.16  -0.10  -0.07     0.13  -0.03  -0.01     0.21   0.38   0.01
    10   1    -0.08   0.03   0.16     0.13   0.08  -0.02     0.41   0.21   0.22
    11   1    -0.07   0.02   0.03     0.04  -0.31   0.04     0.00   0.00  -0.01
    12   1    -0.04  -0.03  -0.02    -0.06   0.29  -0.13    -0.00  -0.06   0.03
    13   1    -0.13  -0.14   0.06     0.03   0.03   0.00    -0.36  -0.37   0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1414.6718              1491.3144              1500.7296
 Red. masses --      1.4639                 1.0487                 1.0544
 Frc consts  --      1.7261                 1.3741                 1.3992
 IR Inten    --    305.6757                 3.5444                10.8186
 RamAct Fr= 1--      1.6078                 3.8382                 3.2563
  Dep-P Fr= 1--      0.1290                 0.7495                 0.7281
  Dep-U Fr= 1--      0.2285                 0.8568                 0.8427
 Alpha2 Fr= 1--      0.0262                 0.0000                 0.0012
 Beta2  Fr= 1--      0.0612                 0.5481                 0.4573
 AlphaG Fr= 1--     -0.0171                -0.0005                 0.0016
 Gamma2 Fr= 1--     -0.0237                -0.8716                -0.1847
 Delta2 Fr= 1--      0.0031                 0.3008                -0.4521
 Raman1 Fr= 1--       6.431                 15.353                 13.025
 ROA1   Fr= 1--      -2.177                -74.046                -32.199
 CID1   Fr= 1--      -0.338                 -4.823                 -2.472
 Raman2 Fr= 1--       0.735                  6.577                  5.488
 ROA2   Fr= 1--      -0.595                -23.324                 -0.816
 CID2   Fr= 1--      -0.809                 -3.546                 -0.149
 Raman3 Fr= 1--       1.470                 13.154                 10.976
 ROA3   Fr= 1--      -2.177                -74.046                -32.199
 CID3   Fr= 1--      -1.481                 -5.629                 -2.934
 RC180  Fr= 1--      -0.543                  0.714                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.04    -0.03   0.02  -0.04     0.04  -0.01  -0.03
     2   6    -0.04  -0.01   0.02    -0.01   0.02  -0.01     0.03  -0.01  -0.02
     3   6     0.09   0.08  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.00
     4   8     0.01  -0.05   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
     5   7     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.01   0.00   0.01
     6   8    -0.09  -0.03   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.08  -0.00   0.03     0.00  -0.07  -0.02    -0.09   0.04  -0.02
     8   1     0.04   0.33   0.14     0.18  -0.28   0.62    -0.02  -0.39  -0.11
     9   1     0.10   0.31  -0.00     0.59   0.06  -0.01    -0.27   0.52   0.01
    10   1     0.27   0.17   0.24    -0.35  -0.13   0.01    -0.29   0.04   0.62
    11   1    -0.04   0.08   0.01    -0.01   0.01   0.01     0.01  -0.04   0.00
    12   1    -0.00  -0.01  -0.02    -0.01   0.00  -0.01    -0.00   0.05  -0.02
    13   1     0.50   0.53  -0.17     0.00   0.00  -0.00    -0.01  -0.01   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1659.4813              1838.8535              3034.2897
 Red. masses --      1.0914                 9.6535                 1.0479
 Frc consts  --      1.7708                19.2322                 5.6843
 IR Inten    --     35.0591               312.5112                 8.0170
 RamAct Fr= 1--      3.5682                14.4336               211.3774
  Dep-P Fr= 1--      0.6060                 0.2690                 0.0352
  Dep-U Fr= 1--      0.7547                 0.4240                 0.0680
 Alpha2 Fr= 1--      0.0095                 0.1621                 4.3247
 Beta2  Fr= 1--      0.4488                 1.0199                 2.3948
 AlphaG Fr= 1--     -0.0014                 0.1400                -0.0480
 Gamma2 Fr= 1--      0.0502                 0.7564                -0.0350
 Delta2 Fr= 1--     -0.0279                 0.1462                 0.0414
 Raman1 Fr= 1--      14.273                 57.734                845.509
 ROA1   Fr= 1--       3.922                 77.294                 -2.032
 CID1   Fr= 1--       0.275                  1.339                 -0.002
 Raman2 Fr= 1--       5.386                 12.238                 28.738
 ROA2   Fr= 1--       1.427                 16.985                 -1.171
 CID2   Fr= 1--       0.265                  1.388                 -0.041
 Raman3 Fr= 1--      10.771                 24.477                 57.476
 ROA3   Fr= 1--       3.922                 77.294                 -2.032
 CID3   Fr= 1--       0.364                  3.158                 -0.035
 RC180  Fr= 1--       0.509                 -0.152                 -0.864
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.02  -0.02  -0.04
     2   6    -0.03  -0.01  -0.00     0.03  -0.03  -0.00    -0.00  -0.00   0.03
     3   6     0.01   0.01  -0.00    -0.37   0.61  -0.00     0.00  -0.00   0.00
     4   8    -0.00  -0.00   0.00     0.23  -0.38   0.00    -0.00   0.00   0.00
     5   7    -0.05   0.05  -0.02     0.00  -0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00  -0.00   0.00     0.06  -0.04  -0.01    -0.00  -0.00   0.00
     7   1     0.01   0.03   0.00    -0.03   0.03  -0.00     0.03   0.03  -0.41
     8   1     0.01   0.01   0.03    -0.02  -0.10  -0.04     0.43  -0.01  -0.15
     9   1     0.01   0.02  -0.00    -0.03  -0.00   0.01    -0.02  -0.05   0.72
    10   1    -0.01  -0.00   0.01    -0.07  -0.00   0.01    -0.13   0.27  -0.09
    11   1     0.51  -0.43  -0.24    -0.00   0.01   0.00     0.00  -0.00   0.01
    12   1     0.37  -0.24   0.54    -0.01  -0.03  -0.01    -0.00  -0.00   0.00
    13   1     0.02   0.02  -0.02    -0.38  -0.32   0.12     0.00   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3042.8332              3097.9958              3134.0153
 Red. masses --      1.0737                 1.1007                 1.0997
 Frc consts  --      5.8570                 6.2242                 6.3637
 IR Inten    --     18.0732                26.5169                 6.5114
 RamAct Fr= 1--     29.9323                57.6186                53.9814
  Dep-P Fr= 1--      0.7104                 0.4894                 0.5917
  Dep-U Fr= 1--      0.8307                 0.6572                 0.7435
 Alpha2 Fr= 1--      0.0205                 0.2987                 0.1590
 Beta2  Fr= 1--      4.1440                 6.3112                 6.6894
 AlphaG Fr= 1--     -0.0058                 0.0936                -0.1964
 Gamma2 Fr= 1--     -0.0415                 3.6761                -4.4496
 Delta2 Fr= 1--     -0.3050                 2.4661                -1.0791
 Raman1 Fr= 1--     119.729                230.475                215.926
 ROA1   Fr= 1--     -13.741                431.818               -461.691
 CID1   Fr= 1--      -0.115                  1.874                 -2.138
 Raman2 Fr= 1--      49.728                 75.735                 80.273
 ROA2   Fr= 1--       1.445                 68.496                -98.157
 CID2   Fr= 1--       0.029                  0.904                 -1.223
 Raman3 Fr= 1--      99.456                151.470                160.545
 ROA3   Fr= 1--     -13.741                431.818               -461.691
 CID3   Fr= 1--      -0.138                  2.851                 -2.876
 RC180  Fr= 1--       0.661                  0.314                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00    -0.05  -0.01   0.07     0.06  -0.07   0.02
     2   6     0.00   0.01  -0.07    -0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   1    -0.06  -0.06   0.88     0.01   0.01  -0.17    -0.00   0.00  -0.03
     8   1     0.32  -0.01  -0.11     0.71  -0.02  -0.22    -0.33   0.00   0.12
     9   1    -0.01  -0.01   0.22    -0.00   0.04  -0.62     0.01   0.00  -0.18
    10   1    -0.09   0.18  -0.06    -0.08   0.14  -0.03    -0.37   0.80  -0.24
    11   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3444.9924              3500.6117              3585.0116
 Red. masses --      1.0641                 1.0513                 1.0923
 Frc consts  --      7.4406                 7.5906                 8.2713
 IR Inten    --    266.6345                 0.5317                 9.9231
 RamAct Fr= 1--     73.7309                89.9471                55.4598
  Dep-P Fr= 1--      0.0865                 0.0833                 0.5568
  Dep-U Fr= 1--      0.1592                 0.1537                 0.7153
 Alpha2 Fr= 1--      1.3341                 1.6403                 0.2039
 Beta2  Fr= 1--      1.9564                 2.3048                 6.6119
 AlphaG Fr= 1--      0.1541                -0.1630                 0.1320
 Gamma2 Fr= 1--      0.0779                -1.2473                 0.6964
 Delta2 Fr= 1--      1.0019                 0.0357                -1.2468
 Raman1 Fr= 1--     294.924                359.788                221.839
 ROA1   Fr= 1--      39.538               -118.600                 26.962
 CID1   Fr= 1--       0.134                 -0.330                  0.122
 Raman2 Fr= 1--      23.477                 27.658                 79.343
 ROA2   Fr= 1--      -6.146                -30.221                 26.689
 CID2   Fr= 1--      -0.262                 -1.093                  0.336
 Raman3 Fr= 1--      46.954                 55.316                158.686
 ROA3   Fr= 1--      39.538               -118.600                 26.962
 CID3   Fr= 1--       0.842                 -2.144                  0.170
 RC180  Fr= 1--      -0.682                 -0.693                  0.431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.01  -0.00   0.00    -0.05   0.01  -0.03    -0.03   0.02   0.07
     6   8     0.04  -0.04  -0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     7   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00   0.00  -0.02
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.04  -0.00  -0.08     0.32   0.00   0.78    -0.22  -0.00  -0.46
    12   1    -0.05   0.02   0.05     0.33  -0.19  -0.36     0.58  -0.30  -0.55
    13   1    -0.67   0.73   0.02    -0.08   0.09   0.00    -0.01   0.02   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    89.04768 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   369.46428 525.57134 834.82501
           X            0.99801   0.06280   0.00550
           Y           -0.06285   0.99799   0.00854
           Z           -0.00495  -0.00887   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.23443     0.16480     0.10375
 Rotational constants (GHZ):           4.88475     3.43387     2.16182
 Zero-point vibrational energy     283968.8 (Joules/Mol)
                                   67.87018 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     83.14   332.55   395.65   402.31   510.14
          (Kelvin)            590.01   763.42   818.40  1063.42  1157.81
                             1217.97  1266.54  1351.31  1468.77  1556.49
                             1650.47  1745.13  1776.05  1892.14  2001.85
                             2028.70  2035.40  2145.67  2159.22  2387.62
                             2645.70  4365.67  4377.96  4457.32  4509.15
                             4956.58  5036.60  5158.03
 
 Zero-point correction=                           0.108158 (Hartree/Particle)
 Thermal correction to Energy=                    0.114761
 Thermal correction to Enthalpy=                  0.115706
 Thermal correction to Gibbs Free Energy=         0.077731
 Sum of electronic and zero-point Energies=           -323.796587
 Sum of electronic and thermal Energies=              -323.789984
 Sum of electronic and thermal Enthalpies=            -323.789040
 Sum of electronic and thermal Free Energies=         -323.827015
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.014             23.351             79.925
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.372
 Rotational               0.889              2.981             26.586
 Vibrational             70.236             17.389             13.967
 Vibration     1          0.596              1.974              4.531
 Vibration     2          0.653              1.793              1.870
 Vibration     3          0.677              1.720              1.565
 Vibration     4          0.680              1.711              1.536
 Vibration     5          0.730              1.566              1.146
 Vibration     6          0.774              1.448              0.926
 Vibration     7          0.886              1.182              0.586
 Vibration     8          0.925              1.099              0.507
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.176363D-35        -35.753591        -82.325687
 Total V=0       0.989913D+14         13.995597         32.226053
 Vib (Bot)       0.370489D-48        -48.431225       -111.517016
 Vib (Bot)    1  0.357465D+01          0.553234          1.273868
 Vib (Bot)    2  0.851704D+00         -0.069711         -0.160516
 Vib (Bot)    3  0.700997D+00         -0.154284         -0.355252
 Vib (Bot)    4  0.687712D+00         -0.162593         -0.374385
 Vib (Bot)    5  0.518804D+00         -0.284997         -0.656229
 Vib (Bot)    6  0.431406D+00         -0.365114         -0.840705
 Vib (Bot)    7  0.301238D+00         -0.521090         -1.199854
 Vib (Bot)    8  0.270886D+00         -0.567214         -1.306058
 Vib (V=0)       0.207952D+02          1.317964          3.034724
 Vib (V=0)    1  0.410945D+01          0.613784          1.413289
 Vib (V=0)    2  0.148762D+01          0.172493          0.397180
 Vib (V=0)    3  0.136104D+01          0.133872          0.308252
 Vib (V=0)    4  0.135026D+01          0.130419          0.300300
 Vib (V=0)    5  0.122053D+01          0.086547          0.199282
 Vib (V=0)    6  0.116039D+01          0.064603          0.148754
 Vib (V=0)    7  0.108373D+01          0.034922          0.080412
 Vib (V=0)    8  0.106866D+01          0.028841          0.066410
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.330284D+08          7.518888         17.312879
 Rotational      0.144127D+06          5.158745         11.878450
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3 3 3          3 333                                         1      1    11111  1  11 1 1 1                                    
      5 5 4          1 000                                         8      6    54443  3  22 1 0 0  9 8 88 7     5 5   4 3 222        
      8 0 4          3 943                                         3      5    09119  1  31 4 8 2  3 8 40 3     6 3   1 5 873     5  
      5 1 5          4 834                                         9      9    11501  5  43 7 2 1  9 0 75 9     9 1   0 5 051     8  
 
      X X X          X XXX                                         X      X    XXXXX  X  XX X X X  X X XX X     X X   X X XXX     X  
          X            X                                           X      X      XX           X    X X X                             
          X                                                        X             XX           X      X X                             
          X                                                        X             XX                  X X                             
          X                                                        X             XX                  X X                             
          X                                                        X             XX                    X                             
          X                                                        X             X                     X                             
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
                                                                   X             X                                                   
                                                                   X             X                                                   
                                                                   X             X                                                   
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011566   -0.000004009   -0.000001502
      2        6           0.000022749    0.000009789   -0.000008385
      3        6          -0.000039041   -0.000008523    0.000008490
      4        8           0.000006385   -0.000009368    0.000000079
      5        7           0.000007820   -0.000004674   -0.000002018
      6        8          -0.000016107    0.000022782   -0.000002887
      7        1          -0.000000958   -0.000006978    0.000004706
      8        1          -0.000002105    0.000002909   -0.000001779
      9        1          -0.000003224    0.000001910    0.000000430
     10        1          -0.000002183    0.000002641    0.000000762
     11        1          -0.000002890    0.000002049   -0.000000885
     12        1          -0.000001593   -0.000000872    0.000002398
     13        1           0.000019581   -0.000007656    0.000000592
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039041 RMS     0.000010236
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.553672D+00
      2 -0.493741D-01  0.513378D+00
      3 -0.212447D-01 -0.364314D-01  0.547200D+00
      4 -0.110596D+00 -0.334432D-01 -0.251022D-01  0.445291D+00
      5 -0.439173D-01 -0.126987D+00 -0.377217D-01  0.451041D-02  0.475439D+00
      6 -0.302709D-01 -0.314890D-01 -0.991322D-01  0.191190D-02 -0.678461D-02
      7 -0.232467D-01 -0.138142D-01  0.172997D-02 -0.140724D+00  0.508923D-02
      8 -0.249321D-01  0.284929D-02  0.720795D-02 -0.170457D-01 -0.688647D-01
      9 -0.155749D-01  0.319883D-02  0.550874D-02  0.148585D-01 -0.728748D-02
     10  0.398955D-03  0.164560D-02  0.972246D-03 -0.153433D-01  0.347697D-01
     11 -0.189020D-02 -0.312163D-02 -0.550199D-03  0.172659D-01 -0.105282D-01
     12  0.153360D-02 -0.197282D-03 -0.409008D-04  0.479887D-02 -0.466705D-02
     13  0.748745D-02 -0.131318D-01  0.408234D-02 -0.808063D-01  0.631939D-01
     14  0.150010D-01 -0.399341D-01  0.104863D-01  0.181201D-01 -0.165096D+00
     15  0.523512D-02 -0.860519D-02  0.411428D-02  0.211138D-03  0.260658D-01
     16 -0.438377D-02  0.197991D-02  0.360328D-02 -0.207778D-01 -0.299114D-01
     17 -0.218483D-02  0.263325D-02  0.137880D-02 -0.761547D-02 -0.164771D-01
     18  0.362779D-02 -0.240479D-02 -0.234819D-02  0.105198D-01  0.141949D-01
     19  0.959342D-03 -0.541575D-03 -0.193726D-01 -0.481589D-01 -0.899504D-03
     20  0.213696D-03 -0.926855D-04 -0.270035D-01  0.156194D-02 -0.458275D-01
     21  0.216054D-04 -0.177243D-02 -0.137521D-01  0.153961D-01  0.177815D-01
     22 -0.283179D+00  0.733605D-02  0.783986D-01 -0.176018D-01  0.196382D-02
     23  0.950882D-02 -0.470759D-01 -0.186254D-02 -0.276972D-01 -0.183090D-02
     24  0.800150D-01 -0.245739D-02 -0.745804D-01 -0.153424D-01  0.505306D-03
     25 -0.479660D-01 -0.102126D-02  0.694868D-02 -0.137672D-02  0.116716D-02
     26 -0.208638D-03 -0.483634D-01  0.204163D-01 -0.711313D-03 -0.907026D-03
     27  0.568100D-02  0.193669D-01 -0.303384D+00 -0.168002D-02  0.827147D-03
     28 -0.929360D-01  0.995437D-01 -0.303565D-01  0.782462D-02 -0.132893D-01
     29  0.951293D-01 -0.253693D+00  0.616576D-01  0.104076D-01 -0.200531D-01
     30 -0.293935D-01  0.627864D-01 -0.661905D-01  0.732188D-02 -0.111651D-01
     31  0.680705D-03 -0.311889D-03  0.637447D-03 -0.543741D-02 -0.514797D-02
     32 -0.527853D-03  0.289108D-02  0.204432D-02  0.147486D-01 -0.356598D-02
     33  0.117296D-02 -0.242318D-02  0.318478D-02 -0.500205D-02  0.427823D-03
     34  0.902079D-03 -0.111008D-02 -0.853293D-04 -0.100970D-01 -0.406519D-02
     35  0.174815D-02 -0.112729D-02  0.345965D-03  0.241191D-01 -0.143234D-01
     36 -0.384064D-03  0.173777D-03 -0.741434D-03 -0.933341D-02  0.602318D-02
     37 -0.179324D-02  0.224275D-02 -0.211256D-03 -0.219684D-02 -0.134636D-01
     38  0.143409D-02 -0.135744D-02  0.321171D-04 -0.422068D-02 -0.977778D-03
     39 -0.419070D-03  0.254727D-03  0.161375D-03  0.144183D-02  0.180036D-02
                6             7             8             9            10 
      6  0.572598D+00
      7  0.107125D-01  0.625306D+00
      8  0.563863D-03 -0.216376D+00  0.917842D+00
      9 -0.954093D-01 -0.513494D-01 -0.420578D-01  0.244851D+00
     10  0.208307D-02 -0.288172D+00  0.282127D+00  0.496956D-02  0.280713D+00
     11 -0.111276D-02  0.294344D+00 -0.559872D+00  0.327117D-02 -0.323133D+00
     12  0.191768D-01  0.387038D-02  0.504813D-02 -0.778894D-01 -0.670722D-02
     13 -0.134613D-01 -0.177915D-01  0.193185D-01 -0.614385D-02 -0.674724D-02
     14  0.183846D-01  0.864381D-02 -0.189020D-01  0.357851D-02  0.543818D-02
     15 -0.105223D+00  0.236165D-02 -0.576719D-02  0.254382D-02  0.300632D-02
     16  0.103703D-01 -0.184150D+00 -0.530851D-01  0.309063D-01  0.387660D-01
     17  0.821708D-02 -0.106361D+00 -0.206235D+00  0.388343D-01  0.331692D-03
     18  0.186876D-01  0.371141D-01  0.283578D-01 -0.669406D-01 -0.420265D-02
     19  0.263215D-01 -0.244197D-02 -0.768497D-03  0.363761D-01 -0.149727D-02
     20  0.102470D-01 -0.139563D-02  0.334406D-03 -0.810196D-03  0.915874D-03
     21 -0.300021D+00  0.325344D-02  0.376795D-03 -0.101252D-01  0.397540D-03
     22  0.448794D-02  0.104775D-02 -0.158238D-02 -0.237060D-02 -0.274102D-03
     23  0.700641D-02  0.154823D-02 -0.544569D-02 -0.318740D-02 -0.116635D-03
     24  0.353665D-02 -0.482629D-03 -0.324202D-02 -0.813577D-03 -0.257683D-03
     25 -0.195679D-01  0.178023D-02 -0.396467D-03 -0.146530D-02 -0.443632D-03
     26 -0.270870D-01  0.166837D-02  0.702108D-03 -0.284286D-04 -0.109365D-04
     27 -0.144823D-01  0.186422D-02 -0.510272D-03 -0.574396D-04 -0.755762D-03
     28  0.638465D-02  0.707371D-03 -0.202671D-02  0.632463D-03 -0.189750D-02
     29  0.798625D-02  0.170909D-02 -0.347112D-02  0.335715D-03  0.711297D-03
     30  0.301126D-02 -0.337160D-03  0.725183D-03  0.467299D-03 -0.198739D-03
     31 -0.789389D-02  0.377757D-03  0.261503D-02 -0.255285D-02 -0.781896D-03
     32  0.362675D-01 -0.565112D-03 -0.382726D-03  0.884326D-03  0.460447D-03
     33 -0.904029D-02  0.177091D-03  0.333652D-03 -0.325720D-03  0.190084D-03
     34  0.490376D-02 -0.230233D-04  0.165649D-02 -0.893850D-03 -0.192770D-02
     35 -0.219916D-01 -0.278820D-02 -0.596732D-02  0.198663D-02  0.180286D-02
     36  0.750285D-02 -0.358238D-03  0.291257D-02  0.103680D-03 -0.165071D-02
     37  0.401837D-02  0.273296D-01  0.104959D-01 -0.739220D-02 -0.279255D-02
     38 -0.207601D-03  0.282978D-01 -0.525872D-01  0.128188D-02 -0.494179D-02
     39 -0.120558D-02 -0.855587D-02  0.605135D-02 -0.191347D-02  0.215395D-02
               11            12            13            14            15 
     11  0.677888D+00
     12 -0.165515D-01  0.355410D-01
     13  0.764545D-02  0.172736D-02  0.429196D+00
     14  0.497443D-03 -0.586781D-03 -0.193521D+00  0.345620D+00
     15 -0.156049D-02  0.101022D-02 -0.169603D-01  0.568471D-01  0.676806D+00
     16  0.184775D-01 -0.664441D-02 -0.178039D-01  0.727851D-03  0.410130D-02
     17 -0.108125D+00  0.154541D-01  0.163506D-01  0.525485D-02 -0.290265D-02
     18  0.120851D-01  0.140695D-01  0.183955D-03 -0.416243D-03  0.544278D-02
     19  0.424518D-04 -0.444302D-02 -0.953646D-03  0.489814D-02 -0.152304D-01
     20 -0.236857D-03  0.290874D-03  0.244925D-02 -0.927026D-02  0.342753D-01
     21  0.209384D-03  0.184890D-02 -0.821886D-03  0.280283D-02 -0.831212D-02
     22 -0.494572D-03  0.265457D-03  0.238531D-02  0.636197D-03 -0.928904D-04
     23  0.193817D-02  0.663194D-03  0.126913D-02  0.283317D-02  0.534454D-04
     24  0.388651D-03  0.401628D-03  0.218205D-04  0.107570D-02 -0.708044D-04
     25  0.552243D-03  0.756423D-03 -0.224216D-03  0.122364D-02  0.796901D-03
     26  0.254153D-03 -0.338991D-03 -0.642859D-04  0.295221D-02 -0.711795D-03
     27  0.517780D-03  0.413318D-03  0.321515D-03  0.439896D-03  0.201341D-02
     28  0.794228D-03 -0.102939D-03 -0.837624D-03 -0.462041D-02 -0.118426D-02
     29  0.284403D-02 -0.633922D-04 -0.284656D-02 -0.492938D-02 -0.202561D-02
     30 -0.385106D-03 -0.688211D-03 -0.217689D-02 -0.381626D-02  0.288041D-03
     31 -0.103829D-03  0.734959D-03 -0.103977D+00  0.221000D-01 -0.164216D+00
     32 -0.562080D-03 -0.611128D-03  0.112642D-01 -0.419839D-01 -0.322397D-01
     33 -0.149446D-03 -0.152100D-04 -0.125843D+00 -0.594705D-02 -0.353871D+00
     34  0.176950D-02  0.322059D-03 -0.216923D+00  0.120777D+00  0.185722D+00
     35  0.225868D-03 -0.405629D-03  0.894031D-01 -0.716301D-01 -0.628321D-01
     36  0.546217D-03  0.227972D-04  0.160239D+00 -0.820402D-01 -0.216153D+00
     37 -0.152691D-01  0.388849D-02  0.699624D-02  0.575045D-03 -0.375097D-02
     38 -0.120090D-02  0.196547D-02 -0.133059D-02 -0.541152D-02 -0.596808D-03
     39  0.329129D-02  0.614958D-02 -0.116869D-02 -0.808253D-03 -0.858898D-02
               16            17            18            19            20 
     16  0.449117D+00
     17 -0.923251D-01  0.522741D+00
     18 -0.611647D-01 -0.489899D-01  0.529998D-01
     19 -0.362269D-02 -0.219109D-02 -0.385046D-02  0.551533D-01
     20 -0.498620D-03  0.458030D-03 -0.567695D-03 -0.189361D-02  0.600433D-01
     21  0.114632D-02 -0.187353D-03  0.683910D-03 -0.170882D-01 -0.187128D-01
     22 -0.991087D-03 -0.112773D-02  0.643738D-03  0.648206D-03  0.363313D-03
     23 -0.176799D-02 -0.754277D-03  0.118566D-02  0.111877D-02  0.107444D-02
     24 -0.122435D-02 -0.506309D-03  0.599801D-03 -0.711963D-04  0.945151D-03
     25 -0.589166D-04  0.152382D-03  0.236792D-03 -0.121016D-02 -0.300408D-02
     26  0.819454D-04 -0.332745D-03  0.188684D-03 -0.298546D-02 -0.353274D-02
     27 -0.621020D-03 -0.506558D-03  0.151032D-03 -0.168994D-02 -0.197584D-02
     28  0.164630D-03  0.113700D-02 -0.275253D-03  0.767320D-03  0.476622D-03
     29 -0.376773D-03  0.165004D-02 -0.152275D-03  0.280802D-03  0.759568D-03
     30  0.976501D-05 -0.822427D-04  0.101745D-03  0.655318D-03  0.362219D-03
     31 -0.161589D-02 -0.265498D-03  0.236852D-02 -0.804854D-04  0.278362D-03
     32 -0.767178D-03  0.477548D-03  0.115834D-02  0.302683D-02 -0.575501D-02
     33  0.664187D-03 -0.674077D-03 -0.510944D-03 -0.144283D-02  0.162177D-02
     34 -0.220804D-02  0.106879D-02 -0.796286D-03  0.993839D-03 -0.111742D-03
     35 -0.298361D-02  0.272305D-02 -0.119956D-02 -0.606680D-03  0.228231D-02
     36 -0.126351D-02  0.279245D-03  0.260281D-03 -0.991809D-03  0.101832D-02
     37 -0.252436D+00  0.193031D+00  0.155946D-01 -0.556806D-03  0.644632D-03
     38  0.160449D+00 -0.204013D+00 -0.343991D-02  0.519430D-03 -0.237010D-03
     39  0.201165D-01 -0.103144D-01 -0.231967D-01  0.827535D-03  0.309360D-03
               21            22            23            24            25 
     21  0.325662D+00
     22 -0.287119D-03  0.308905D+00
     23  0.421063D-03 -0.631827D-02  0.491285D-01
     24  0.941383D-03 -0.853345D-01  0.507099D-02  0.768063D-01
     25 -0.147271D-02  0.724988D-03 -0.274458D-02  0.308970D-01  0.480303D-01
     26 -0.212948D-02  0.151169D-03 -0.105904D-02 -0.123581D-02  0.379419D-02
     27  0.627938D-03  0.195650D-03  0.993038D-03 -0.884608D-02 -0.429489D-02
     28  0.614643D-04 -0.110027D-01  0.261441D-01 -0.868009D-02  0.879084D-04
     29 -0.294954D-03 -0.240681D-03  0.145980D-02 -0.799395D-03  0.127332D-03
     30  0.401913D-03  0.382229D-02 -0.104643D-01  0.218906D-02 -0.132463D-01
     31  0.458752D-03 -0.943889D-04 -0.162585D-03  0.431479D-03  0.530085D-03
     32  0.162526D-02 -0.354945D-03 -0.402648D-03  0.259003D-04  0.115113D-03
     33  0.126640D-02  0.280719D-03  0.485243D-03 -0.194403D-03  0.504144D-03
     34 -0.718146D-03 -0.708653D-04 -0.738556D-04  0.207986D-03 -0.261028D-04
     35 -0.124804D-04 -0.690516D-03 -0.430707D-03 -0.403411D-04  0.357844D-04
     36  0.119604D-02  0.242688D-04 -0.233454D-03  0.135206D-03  0.486344D-04
     37 -0.347196D-03 -0.497342D-03 -0.707939D-03 -0.180548D-03  0.152245D-03
     38 -0.107392D-03  0.358543D-03  0.565162D-03  0.269574D-03 -0.145213D-05
     39 -0.417879D-03 -0.335711D-04 -0.131313D-03 -0.104702D-03 -0.141535D-03
               26            27            28            29            30 
     26  0.510939D-01
     27 -0.186359D-01  0.331542D+00
     28 -0.208134D-02  0.641372D-03  0.973127D-01
     29 -0.645979D-03  0.563953D-03 -0.105580D+00  0.276317D+00
     30  0.287183D-01 -0.794654D-02  0.331426D-01 -0.664191D-01  0.682806D-01
     31  0.563178D-03  0.347101D-03 -0.228340D-03  0.109618D-04  0.737946D-04
     32 -0.367433D-03 -0.139612D-02  0.150938D-03  0.604401D-03 -0.415284D-03
     33  0.892097D-03 -0.336830D-04 -0.251538D-03 -0.876509D-03 -0.147758D-03
     34  0.462855D-04  0.133291D-03 -0.370226D-03 -0.442904D-03  0.115646D-03
     35  0.899962D-04  0.179697D-03 -0.559928D-03 -0.495955D-03  0.276631D-03
     36  0.448440D-04  0.119881D-03 -0.211663D-04  0.155684D-03  0.218894D-03
     37 -0.243167D-03 -0.142516D-03  0.407887D-03  0.111034D-02  0.211274D-03
     38  0.115957D-03  0.136302D-03 -0.891243D-04 -0.347155D-03 -0.121244D-03
     39 -0.927367D-04 -0.118255D-03  0.914366D-05 -0.679487D-04  0.141677D-04
               31            32            33            34            35 
     31  0.101105D+00
     32 -0.188781D-01  0.497772D-01
     33  0.145375D+00  0.713283D-02  0.381927D+00
     34  0.980144D-02 -0.885676D-02 -0.145888D-01  0.218077D+00
     35 -0.606640D-03 -0.674759D-03 -0.118125D-02 -0.112336D+00  0.888756D-01
     36  0.284329D-01 -0.120276D-01 -0.230637D-01 -0.176023D+00  0.831932D-01
     37 -0.279858D-03  0.183843D-03 -0.123609D-02  0.187156D-02  0.346287D-02
     38 -0.910942D-04 -0.557368D-04  0.358096D-03  0.167835D-02  0.452701D-03
     39 -0.419771D-02 -0.244859D-02  0.825063D-03  0.170012D-02  0.168081D-02
               36            37            38            39 
     36  0.230623D+00
     37  0.128066D-02  0.223795D+00
     38 -0.458117D-04 -0.182062D+00  0.265054D+00
     39 -0.225245D-03 -0.117326D-01  0.475338D-03  0.286207D-01
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.585226D+02 -0.115522D+01 -0.412119D+00
      2  -0.115522D+01  0.603306D+02 -0.574654D+00
      3  -0.412119D+00 -0.574654D+00  0.444881D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.589377D+00  0.209023D+01  0.555520D+01
      2  -0.305014D+01 -0.167848D+01 -0.178362D+02
      3   0.255834D+01  0.958967D+01  0.122127D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.402207D+02  0.523286D+00 -0.708521D+00
      2   0.247008D+02 -0.896241D+01  0.123275D+01
      3   0.155200D+02  0.843913D+01 -0.524224D+00
      4  -0.113618D+02 -0.193285D+02 -0.551012D+01
      5  -0.900459D+00 -0.661188D+01 -0.395367D+02
      6  -0.430493D+01 -0.199079D+01 -0.662577D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.491136D+01 -0.520687D+00 -0.226009D+01 -0.148432D+01 -0.324153D+01
      2  -0.520687D+00 -0.417856D+01 -0.153154D+00 -0.324153D+01  0.245058D+01
      3  -0.226009D+01 -0.153154D+00  0.631515D-01 -0.245626D+00 -0.190698D+01
                 6             7             8             9            10 
      1  -0.245626D+00 -0.273389D+01 -0.595485D+00  0.417566D+00 -0.365159D+01
      2  -0.190698D+01 -0.595485D+00 -0.212643D+01 -0.268071D-01  0.952691D+00
      3  -0.243049D+00  0.417566D+00 -0.268071D-01  0.671416D+01  0.607150D+00
                11            12            13            14            15 
      1   0.952691D+00  0.607150D+00  0.125546D+01  0.268413D+01  0.394458D+00
      2   0.350179D+01  0.413978D+00  0.268413D+01 -0.148748D+01  0.102616D+01
      3   0.413978D+00  0.791949D-01  0.394458D+00  0.102616D+01  0.570819D+00
                16            17            18            19            20 
      1   0.439555D+00  0.912802D+00  0.426133D+00  0.217161D+01  0.768107D+00
      2   0.912802D+00  0.161400D+01  0.207063D+00  0.768107D+00 -0.383314D+01
      3   0.426133D+00  0.207063D+00 -0.670525D+01  0.540382D-02  0.242406D+00
                21            22            23            24            25 
      1   0.540382D-02  0.245396D+01 -0.395062D+01  0.139075D+00 -0.525622D+00
      2   0.242406D+00 -0.395062D+01  0.351187D+01  0.443039D-02  0.439560D+00
      3  -0.765669D-01  0.139075D+00  0.443039D-02  0.589847D+00  0.365190D-01
                26            27            28            29            30 
      1   0.439560D+00  0.365190D-01  0.563231D+01 -0.411319D+01  0.212293D+00
      2  -0.348771D+00  0.331013D+00 -0.411319D+01  0.428336D+01 -0.284876D+00
      3   0.331013D+00  0.557554D+00  0.212293D+00 -0.284876D+00  0.123046D+01
                31            32            33            34            35 
      1  -0.496378D+01  0.381195D+01  0.864959D-02  0.298755D+00 -0.731573D-02
      2   0.381195D+01 -0.102003D+02  0.136967D+00 -0.731573D-02  0.162813D-01
      3   0.864959D-02  0.136967D+00 -0.235103D+01  0.192429D+01 -0.272818D+01
                36            37            38            39            40 
      1   0.192429D+01  0.312004D+01 -0.158403D+01 -0.755982D+00 -0.104744D+01
      2  -0.272818D+01 -0.158403D+01 -0.541026D-01  0.298700D+00 -0.700942D+00
      3   0.131499D+00 -0.755982D+00  0.298700D+00  0.267310D+01  0.424529D+00
                41            42            43            44            45 
      1  -0.700942D+00  0.424529D+00 -0.946455D+00  0.556617D+00  0.289813D+01
      2   0.511768D+01 -0.796283D+00  0.556617D+00 -0.870018D+00 -0.457760D+00
      3  -0.796283D+00 -0.174467D+00  0.289813D+01 -0.457760D+00  0.285106D+01
                46            47            48            49            50 
      1   0.709606D+01  0.163407D+01 -0.673495D+00 -0.177430D+01  0.353321D+01
      2   0.163407D+01  0.374455D+01 -0.360945D+00  0.353321D+01  0.241392D+01
      3  -0.673495D+00 -0.360945D+00  0.897640D+00  0.159470D-02 -0.363174D+00
                51            52            53            54            55 
      1   0.159470D-02 -0.818364D+00 -0.470747D+00  0.121171D+01  0.146902D+00
      2  -0.363174D+00 -0.470747D+00 -0.423524D+00  0.170092D+01 -0.187329D+00
      3   0.894391D+00  0.121171D+01  0.170092D+01 -0.109532D+01  0.978923D+00
                56            57            58            59            60 
      1  -0.187329D+00  0.978923D+00 -0.505638D+00 -0.707740D+00  0.158637D-01
      2  -0.720664D+00 -0.320499D-01 -0.707740D+00  0.367162D-01  0.108394D+01
      3  -0.320499D-01 -0.459012D+00  0.158637D-01  0.108394D+01 -0.456382D+00
                61            62            63            64            65 
      1   0.177269D+01 -0.122151D+00 -0.653151D+00 -0.915296D+01 -0.138141D+01
      2  -0.122151D+00  0.143911D+01 -0.331799D-01 -0.138141D+01 -0.136947D+01
      3  -0.653151D+00 -0.331799D-01  0.863551D+01  0.144175D+01  0.109549D+00
                66            67            68            69            70 
      1   0.144175D+01  0.174833D+00 -0.784220D+00  0.129896D+00  0.227507D+01
      2   0.109549D+00 -0.784220D+00 -0.554199D+00  0.488363D+00  0.383166D+00
      3  -0.155683D+01  0.129896D+00  0.488363D+00  0.906241D-01 -0.138211D+01
                71            72            73            74            75 
      1   0.383166D+00 -0.138211D+01 -0.690949D+00 -0.969895D-01 -0.673504D+00
      2   0.974450D+00 -0.189561D+00 -0.969895D-01  0.552096D+00  0.577744D-01
      3  -0.189561D+00  0.366637D+00 -0.673504D+00  0.577744D-01  0.461509D-01
                76            77            78            79            80 
      1   0.337337D+00  0.222038D+00  0.137610D+00 -0.140353D+01 -0.365792D+00
      2   0.222038D+00 -0.374386D+00 -0.752574D+00 -0.365792D+00 -0.172240D+01
      3   0.137610D+00 -0.752574D+00  0.285694D+00 -0.981359D+00 -0.917376D+00
                81            82            83            84            85 
      1  -0.981359D+00  0.858422D+00 -0.637601D+00  0.483035D+00 -0.141495D+01
      2  -0.917376D+00 -0.637601D+00  0.236032D+01 -0.114355D+00  0.946664D+00
      3  -0.825423D+01  0.483035D+00 -0.114355D+00  0.615579D+00 -0.205046D+00
                86            87            88            89            90 
      1   0.946664D+00 -0.205046D+00  0.780266D+00  0.671101D-01  0.182593D+00
      2  -0.804033D+01  0.995893D+00  0.671101D-01  0.154962D+01 -0.112451D+01
      3   0.995893D+00 -0.134957D+01  0.182593D+00 -0.112451D+01  0.118853D+00
                91            92            93            94            95 
      1  -0.162211D+01  0.106757D+01 -0.139675D+01  0.674910D+00 -0.237022D+00
      2   0.106757D+01 -0.677818D+00  0.589633D+00 -0.237022D+00  0.601363D+00
      3  -0.139675D+01  0.589633D+00 -0.183311D+01  0.254161D+00 -0.470994D+00
                96            97            98            99           100 
      1   0.254161D+00 -0.254080D+01  0.708065D+00 -0.242532D+01 -0.451394D+01
      2  -0.470994D+00  0.708065D+00 -0.188109D+01  0.118458D+01  0.270240D+01
      3   0.193066D+00 -0.242532D+01  0.118458D+01 -0.526857D+01  0.166939D+01
               101           102           103           104           105 
      1   0.270240D+01  0.166939D+01  0.264604D+01 -0.154507D+01 -0.873690D+00
      2  -0.226870D+01 -0.980173D+00 -0.154507D+01  0.202257D+01  0.812993D+00
      3  -0.980173D+00 -0.167074D+01 -0.873690D+00  0.812993D+00  0.997014D+00
               106           107           108           109           110 
      1   0.305394D+01 -0.146560D+01 -0.199540D+01 -0.430515D+01  0.139639D+01
      2  -0.146560D+01  0.184833D+01  0.135722D+01  0.139639D+01 -0.133967D+01
      3  -0.199540D+01  0.135722D+01  0.217187D+01  0.361874D+00  0.213512D+00
               111           112           113           114           115 
      1   0.361874D+00  0.364789D+01 -0.308506D-01 -0.181475D+00  0.348404D+00
      2   0.213512D+00 -0.308506D-01  0.450198D+01 -0.258731D+00 -0.402337D-01
      3  -0.902948D-02 -0.181475D+00 -0.258731D+00  0.953038D+00  0.340403D+00
               116           117 
      1  -0.402337D-01  0.340403D+00
      2  -0.695595D-01  0.696575D+00
      3   0.696575D+00 -0.223774D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.428199D+01 -0.977966D-01 -0.507121D+00 -0.708318D+00 -0.653145D+01
      2   0.618094D+01  0.154496D+01  0.126516D+01  0.172367D+01  0.260732D+01
      3  -0.749436D+01 -0.890147D+01  0.297950D+01 -0.121504D+01  0.119166D+02
                 6             7             8             9            10 
      1  -0.262101D+01  0.105289D+01  0.225397D+01  0.847110D+01  0.105238D+01
      2   0.672242D+00 -0.340675D+01 -0.116552D+00 -0.933362D+01  0.860351D+00
      3  -0.294523D+01  0.320828D+01 -0.285031D+01 -0.841862D+00  0.368953D+01
                11            12            13            14            15 
      1   0.104391D+01 -0.169262D+00  0.171449D+01  0.599867D+00  0.518900D+00
      2   0.139902D+01  0.341465D+01 -0.117294D+01 -0.330281D+01 -0.874572D+00
      3  -0.291737D+01 -0.115955D+01  0.133093D+01 -0.282134D+01  0.129990D+01
                16            17            18            19            20 
      1   0.159058D+00  0.517217D+01 -0.940907D+00  0.611563D-01  0.102807D+01
      2  -0.313867D+01 -0.430525D+00  0.203032D+01 -0.469445D+01 -0.179329D+01
      3   0.430213D+00  0.228460D+01 -0.459602D+00  0.344752D+01  0.293457D+01
                21            22            23            24            25 
      1  -0.143908D+01  0.215360D+01  0.110922D+01  0.836531D+01  0.213929D+01
      2  -0.636959D+01 -0.171686D+01  0.116904D+01  0.267502D+01 -0.169732D+02
      3   0.666351D+00  0.198258D+01 -0.659641D+01 -0.173166D+01 -0.325841D+00
                26            27            28            29            30 
      1   0.971365D+01 -0.202597D+01 -0.310120D+00  0.410253D+00  0.448526D+01
      2  -0.803827D+00  0.336919D+01 -0.201716D+00  0.154122D+00  0.730922D+01
      3  -0.294444D+01 -0.750460D+00 -0.243240D+01 -0.851635D+01  0.134227D+00
                31            32            33            34            35 
      1  -0.313562D+00 -0.775003D+00 -0.903547D+01 -0.527221D+00  0.165379D+01
      2   0.179799D+01 -0.365646D+00 -0.483250D+01  0.267840D+01 -0.208283D+01
      3   0.671013D+01  0.136737D+02  0.318734D+00  0.743058D+00  0.602605D+00
                36            37            38            39            40 
      1   0.306370D+00  0.202389D+01 -0.165712D+01 -0.536516D+01 -0.277317D+01
      2  -0.910214D+00  0.181814D+01 -0.206973D+01  0.797677D+00 -0.121647D+01
      3   0.310782D+01  0.461757D+01 -0.951978D+01 -0.240489D+00  0.226844D+01
                41            42            43            44            45 
      1   0.292147D+01 -0.423255D+01 -0.697793D+01  0.531171D+01 -0.435108D+01
      2   0.169085D+01  0.827774D+00 -0.701405D+01  0.163821D+01 -0.236743D+01
      3   0.275446D+01  0.330676D+00 -0.139923D+01  0.510916D+00  0.530449D+01
                46            47            48            49            50 
      1   0.130314D+01 -0.121409D+01 -0.343809D+01 -0.775332D+00  0.547157D+00
      2   0.180625D+01 -0.398863D+00  0.599899D+01 -0.746357D+00 -0.213962D+00
      3   0.130004D+02 -0.128485D+02 -0.398646D+00 -0.745163D+01  0.183763D+01
                51            52            53            54            55 
      1  -0.518660D+01 -0.235177D+01  0.132745D+01  0.144706D+01  0.992733D-01
      2   0.115321D+01  0.334457D+01  0.220925D+01 -0.220105D+01 -0.104313D+00
      3   0.608395D+00 -0.130170D+01  0.186600D+01 -0.134605D+01 -0.634464D+00
                56            57            58            59            60 
      1  -0.743855D+00 -0.271854D+00 -0.789821D+00  0.168103D+00 -0.507829D+00
      2  -0.245167D+00  0.304911D+00  0.200675D+00  0.129583D+00  0.524737D+00
      3  -0.119680D+01  0.120532D+00  0.706077D+00  0.433818D+00  0.758875D+00
                61            62            63            64            65 
      1  -0.550426D+00  0.291468D+01  0.103125D+01  0.168411D+01 -0.505617D-01
      2  -0.242394D+01  0.300492D+00 -0.505027D+01 -0.363448D+01 -0.150764D+00
      3  -0.341022D+00  0.837862D+00  0.151068D+00  0.985226D+01 -0.340611D+01
                66            67            68            69            70 
      1  -0.221417D+01  0.185603D+00  0.636094D+00 -0.566104D+00 -0.147331D+01
      2   0.548431D+01 -0.285519D+00 -0.723815D+00 -0.305835D+00  0.150615D+01
      3  -0.204001D+01 -0.173033D-01 -0.653418D-01  0.715298D+00 -0.223345D+01
                71            72            73            74            75 
      1   0.716373D+00  0.455757D+00 -0.745372D+00 -0.266714D+00 -0.240658D+00
      2   0.972745D-01 -0.120862D+01  0.780256D+00 -0.105201D+00  0.724376D+00
      3   0.185077D+01  0.138651D+01  0.689039D+00  0.218271D+00  0.866715D+00
                76            77            78            79            80 
      1  -0.623377D-01 -0.103060D+01 -0.499979D+00 -0.911000D+00  0.252417D+01
      2  -0.117631D+00  0.103213D+01 -0.192743D+00 -0.192843D+01  0.934332D+00
      3   0.780234D+00 -0.875727D+00 -0.100179D+01  0.160027D+01 -0.231531D+01
                81            82            83            84            85 
      1  -0.109237D+02  0.112859D+01 -0.520246D+00  0.170730D+01 -0.758749D+00
      2   0.124849D+02 -0.714801D+00 -0.128236D+00 -0.235816D+00  0.187661D+00
      3   0.226711D-01 -0.452503D+01  0.424209D+01 -0.131653D+01  0.654383D+01
                86            87            88            89            90 
      1   0.306894D+01 -0.426706D+01  0.504826D+00 -0.731120D+00  0.564260D+00
      2  -0.915161D+00  0.143630D+01 -0.121509D+01  0.107438D+01 -0.341183D-01
      3  -0.139906D+02  0.213994D+01 -0.180748D+01  0.240639D+01 -0.188048D+01
                91            92            93            94            95 
      1   0.244766D+01 -0.383606D+00  0.367959D+01 -0.348997D+00  0.138608D+01
      2   0.695874D+00 -0.623545D+00  0.277447D+01 -0.422501D+00  0.420581D+00
      3  -0.133088D+01  0.124253D+00 -0.144457D+01  0.155358D+01  0.528345D-01
                96            97            98            99           100 
      1  -0.740765D+00  0.491254D+01 -0.507816D-01  0.923007D+01 -0.308282D+01
      2  -0.473110D+00  0.917419D+00 -0.157157D+01  0.613842D+01 -0.102566D+01
      3   0.574767D-02 -0.390746D+01 -0.189650D+01 -0.306131D+01 -0.490706D+01
               101           102           103           104           105 
      1   0.149156D+01  0.360170D+01  0.181046D+01 -0.108526D+01 -0.183626D+01
      2   0.132535D+01  0.293649D+01  0.935250D+00 -0.751193D+00 -0.151159D+01
      3   0.185337D+00  0.163430D+01  0.389001D+01  0.529319D+00 -0.783569D+00
               106           107           108           109           110 
      1   0.372172D+01 -0.112878D+01 -0.351376D+01 -0.137990D+01  0.960202D+00
      2   0.119639D+01 -0.154237D+01 -0.293591D+01 -0.197193D+01  0.804200D+00
      3   0.448528D+01  0.414378D+00 -0.198463D+01 -0.133943D+02  0.943476D+01
               111           112           113           114           115 
      1   0.171551D+00  0.871679D+00 -0.727468D+00 -0.163530D+01 -0.276530D+00
      2  -0.216014D+01  0.833023D+00 -0.776917D+00  0.901062D+00 -0.280602D+01
      3   0.485313D+00  0.121814D+02 -0.742677D+01  0.790889D-01  0.849087D+00
               116           117 
      1   0.489818D+00 -0.375619D-01
      2   0.871537D+00  0.223956D+00
      3  -0.766950D+00  0.351832D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.288144D+02 -0.829716D+01  0.996327D+01 -0.313086D+01  0.146548D+02
      2   0.142197D+02  0.124254D+02 -0.565120D+01  0.729928D+01 -0.162975D+02
      3   0.145947D+02 -0.412827D+01 -0.431208D+01 -0.416842D+01  0.164268D+01
      4  -0.911783D+01  0.946294D+01  0.537838D+01  0.124065D+02  0.435600D+01
      5   0.978696D+01  0.130170D+01  0.152413D+00  0.151453D+01  0.615125D+01
      6   0.718501D+01  0.148466D+01  0.445262D+00  0.150715D+01  0.823948D+01
                 6             7             8             9            10 
      1  -0.308780D+01  0.119357D+02 -0.153179D+01  0.480554D+01  0.482866D+01
      2   0.555363D+01 -0.431968D+01  0.571870D+01  0.771185D+01 -0.927031D+00
      3  -0.246582D+01 -0.761602D+01 -0.418691D+01 -0.125174D+02 -0.390163D+01
      4   0.466153D+01  0.739336D+01  0.601679D+01  0.194839D+01 -0.168035D+01
      5   0.122233D+01 -0.636846D+00  0.106048D+01 -0.178924D+02 -0.200289D+01
      6   0.282331D+01 -0.182204D+00  0.719398D+00 -0.123224D+02 -0.226968D+00
                11            12            13            14            15 
      1  -0.349335D+01  0.157318D-01 -0.167781D+00 -0.235909D+00 -0.176006D+01
      2   0.298590D+01 -0.786719D-01 -0.766274D+00 -0.586531D+01  0.405600D+00
      3   0.507447D+00  0.629401D-01  0.934055D+00  0.610122D+01  0.135446D+01
      4  -0.308497D+01 -0.128016D+01 -0.141749D+02 -0.112922D+00 -0.272114D+01
      5  -0.116141D+01  0.986425D+00 -0.194955D+01 -0.193394D+01 -0.115113D+01
      6  -0.238179D+01  0.708839D+00 -0.227227D+01 -0.201957D+01 -0.444183D+01
                16            17            18            19            20 
      1  -0.556917D+01 -0.198991D+01  0.850833D+01 -0.785425D+01 -0.221356D+01
      2  -0.727760D+00  0.121275D+01  0.953819D+01 -0.137009D+00  0.449432D+01
      3   0.629693D+01  0.777161D+00 -0.180465D+02  0.799126D+01 -0.228076D+01
      4  -0.130338D+01 -0.523309D+01 -0.227762D+01  0.756265D+01 -0.194335D+02
      5  -0.680064D+00 -0.757826D+00  0.110567D+02 -0.168301D+01  0.226151D+01
      6  -0.972785D+00  0.101774D+01  0.228051D+01 -0.298993D+00  0.654857D+00
                21            22            23            24            25 
      1  -0.198927D+01  0.102064D+02 -0.365650D-01 -0.879693D+00  0.122303D+01
      2  -0.108071D+01 -0.472103D+01 -0.917234D+01 -0.183983D+01 -0.220146D+01
      3   0.306998D+01 -0.548534D+01  0.920891D+01  0.271953D+01  0.978433D+00
      4   0.116422D+01 -0.243799D+02  0.126422D+02  0.698574D+00  0.166649D+01
      5  -0.760393D+01  0.291975D+01 -0.354188D+00  0.358363D+01  0.111569D+01
      6   0.112303D+01  0.563488D-01  0.173211D+01 -0.137883D+02 -0.206115D+00
                26            27            28            29            30 
      1   0.612129D+00 -0.612298D+01  0.235699D+02 -0.618660D+01  0.461202D+00
      2   0.683297D+00 -0.519469D+01 -0.950018D+01 -0.247417D+01 -0.410669D+00
      3  -0.129543D+01  0.113177D+02 -0.140697D+02  0.866077D+01 -0.505333D-01
      4   0.420284D+01  0.230321D+01 -0.233916D+02  0.258762D+02 -0.130038D+01
      5   0.781414D+00  0.284420D+01  0.273413D+01 -0.167528D+01  0.117783D+02
      6   0.386818D+01  0.187671D+01 -0.486729D+00  0.331799D+00 -0.643556D+01
                31            32            33            34            35 
      1  -0.107183D+02 -0.630949D+01  0.290375D-01  0.391063D+00  0.174440D+00
      2  -0.675647D+00  0.213480D+02  0.927217D+00  0.329646D+00  0.518904D+00
      3   0.113939D+02 -0.150385D+02 -0.956255D+00 -0.720709D+00 -0.693344D+00
      4   0.280961D+02 -0.356829D+02  0.910715D+00 -0.290583D+00 -0.396059D+00
      5  -0.187624D+01  0.207325D+01 -0.933333D+01  0.118056D+02 -0.906259D+01
      6   0.644860D+00 -0.327374D+00  0.139877D+02 -0.469214D+01  0.103373D+02
                36            37            38            39            40 
      1   0.387719D-01  0.266887D+01  0.883468D+01  0.150725D+01  0.646112D+01
      2  -0.201952D+01 -0.382627D+01 -0.622268D+01  0.205131D+01 -0.407057D+01
      3   0.198075D+01  0.115741D+01 -0.261199D+01 -0.355857D+01 -0.239055D+01
      4  -0.932684D+01  0.126076D+02 -0.150528D+01 -0.296835D+01  0.598407D+01
      5   0.694538D+00  0.315284D+01 -0.263757D+01 -0.567516D+01 -0.231754D+01
      6  -0.565103D+00 -0.391864D+01  0.323518D+01  0.819051D+01  0.338397D+01
                41            42            43            44            45 
      1  -0.111319D+02 -0.238573D+00  0.155304D+01 -0.164928D+01 -0.907817D+01
      2   0.212761D+02 -0.198148D+01  0.300843D+01 -0.199570D+01  0.541526D+01
      3  -0.101442D+02  0.222005D+01 -0.456148D+01  0.364498D+01  0.366292D+01
      4  -0.105500D+02  0.328124D+01 -0.526317D+01  0.379004D+01  0.928617D+01
      5   0.246682D+01  0.134146D+01 -0.692643D+01  0.432277D+01 -0.776670D+01
      6  -0.351632D+01  0.470110D+01  0.109015D+02  0.661590D+00  0.511876D+01
                46            47            48            49            50 
      1   0.213893D+02  0.275796D+01 -0.605624D-01 -0.276910D+01  0.119132D+00
      2  -0.119164D+02  0.394144D+01  0.138397D+01  0.697564D+01  0.760992D+01
      3  -0.947290D+01 -0.669940D+01 -0.132340D+01 -0.420654D+01 -0.772905D+01
      4   0.217985D+02  0.191872D+02 -0.167440D+01  0.136921D+02  0.148033D+02
      5  -0.248935D+01 -0.101178D+01  0.109163D+02  0.279553D+00 -0.133993D+01
      6  -0.131720D+01 -0.913864D+00  0.551166D+01 -0.698667D+00 -0.208255D+01
                51            52            53            54            55 
      1   0.175300D+01  0.191714D+00  0.790751D+00 -0.205763D+00  0.478230D+00
      2  -0.374962D+00  0.122076D+01 -0.931077D+00 -0.392910D+01 -0.335605D+01
      3  -0.137804D+01 -0.141247D+01  0.140326D+00  0.413486D+01  0.287782D+01
      4  -0.114695D+01 -0.191030D+01 -0.218672D+01  0.637758D+01  0.592498D+00
      5   0.358991D+01  0.968801D+01  0.595310D+01 -0.437238D+01 -0.200243D+01
      6   0.109633D+02  0.303123D+01  0.791755D+01 -0.311956D+01 -0.659787D+00
                56            57            58            59            60 
      1   0.266049D+00 -0.169454D+01 -0.249311D+00 -0.328474D+01  0.712731D+00
      2   0.560887D-01  0.123567D+01 -0.553332D-01 -0.119390D+00  0.293401D+00
      3  -0.322138D+00  0.458866D+00  0.304644D+00  0.340414D+01 -0.100613D+01
      4   0.216816D+01 -0.274289D+00  0.355376D+01  0.459467D+00 -0.136814D+01
      5  -0.269862D+00  0.638025D+01 -0.174824D+00 -0.156665D+01  0.716840D+00
      6   0.693821D+00 -0.155842D+00  0.849283D-01 -0.767548D+00  0.649790D+01
                61            62            63            64            65 
      1   0.293215D+00  0.183494D+00 -0.170582D+02  0.493196D+02  0.439290D+01
      2   0.235909D+01  0.115913D+00 -0.169342D+02 -0.240275D+02  0.580853D+00
      3  -0.265231D+01 -0.299407D+00  0.339924D+02 -0.252921D+02 -0.497375D+01
      4  -0.847885D+00 -0.196333D+01  0.597853D+00  0.225649D+02  0.113165D+02
      5   0.588574D+01  0.450166D-01 -0.134937D+02 -0.680151D+01 -0.703819D+00
      6   0.388591D+00  0.461004D+01 -0.203296D+01 -0.417819D+01 -0.734113D+00
                66            67            68            69            70 
      1  -0.775881D+01 -0.193869D+01  0.306372D+01  0.566210D+00 -0.103619D+02
      2   0.401078D+01  0.286493D+01  0.757869D+00 -0.119922D+01  0.569389D+01
      3   0.374803D+01 -0.926234D+00 -0.382159D+01  0.633006D+00  0.466801D+01
      4  -0.346467D+01  0.689051D+01  0.273842D+01 -0.212129D+01 -0.542260D+01
      5   0.926920D+01 -0.283069D+00 -0.195110D+01 -0.412395D+00  0.896410D+01
      6   0.427078D+01 -0.611101D+00 -0.111044D+01  0.949972D+00  0.349008D+01
                71            72            73            74            75 
      1  -0.921015D-01  0.500414D+01  0.366602D+01  0.135879D+01  0.223709D+01
      2  -0.165700D+01 -0.506950D+01 -0.376291D+01 -0.167344D+01 -0.124473D+01
      3   0.174910D+01  0.653615D-01  0.968921D-01  0.314652D+00 -0.992363D+00
      4  -0.433029D+01  0.282557D+01  0.187946D+01  0.807120D-01  0.144540D+01
      5   0.106126D+01 -0.399963D+01  0.167034D+01  0.324224D+00  0.492224D+01
      6   0.171549D+01 -0.105455D+01  0.116587D+01 -0.398861D+00  0.498236D+00
                76            77            78            79            80 
      1  -0.316274D+00 -0.379513D+01 -0.138524D+01  0.336995D+01 -0.255336D+01
      2   0.862675D-01  0.209386D+01  0.251883D+01 -0.299270D+01  0.275721D+01
      3   0.230007D+00  0.170127D+01 -0.113359D+01 -0.377256D+00 -0.203852D+00
      4   0.304504D+00  0.146942D+00  0.239645D+01  0.379000D+01  0.532477D+01
      5  -0.843002D+00  0.193961D+01 -0.530787D+00  0.771151D+01  0.252838D+01
      6   0.384100D+00  0.105944D+01  0.490712D+01  0.220653D+01  0.716860D+01
                81            82            83            84            85 
      1  -0.119588D+02 -0.123852D+01  0.741118D+01 -0.186332D+01  0.667336D+01
      2  -0.132364D+02  0.348179D+01 -0.106472D+02  0.186395D+01 -0.651291D+01
      3   0.251952D+02 -0.224327D+01  0.323604D+01 -0.634622D-03 -0.160451D+00
      4   0.185178D+01 -0.196764D+01 -0.863512D-01 -0.125121D+01  0.463672D+01
      5   0.236018D+02 -0.130809D+01  0.324286D+00 -0.638474D+00  0.819947D+00
      6   0.184221D+02 -0.155993D+01  0.740695D+00 -0.266699D+01  0.459243D+00
                86            87            88            89            90 
      1  -0.225849D+02  0.308507D+01 -0.253758D+01  0.384195D+01 -0.470468D+01
      2   0.379938D+02 -0.510730D+01  0.138225D+01 -0.591166D+01  0.322156D+01
      3  -0.154090D+02  0.202223D+01  0.115533D+01  0.206971D+01  0.148311D+01
      4   0.138454D+02 -0.171765D+01 -0.230668D+01 -0.315792D+01  0.104669D+01
      5  -0.324828D+01  0.333916D+01  0.899622D+00  0.205919D+01  0.373087D+00
      6  -0.379117D+01  0.691695D+01 -0.120373D+01  0.700701D+01 -0.249322D+01
                91            92            93            94            95 
      1   0.538314D+01 -0.227058D+01  0.357873D+01 -0.195722D+01 -0.129570D+01
      2  -0.318457D+01  0.340605D+00 -0.289118D+01  0.666801D+00  0.153537D+01
      3  -0.219856D+01  0.192997D+01 -0.687550D+00  0.129042D+01 -0.239670D+00
      4  -0.656910D+01  0.515105D+01 -0.419923D+01  0.349138D+01 -0.186008D+01
      5   0.657271D+01 -0.247913D+01  0.876298D+01 -0.793940D+00  0.198404D+01
      6  -0.372592D+01  0.192308D+01 -0.570333D+01  0.175301D+01 -0.140360D+01
                96            97            98            99           100 
      1   0.175801D+00  0.565022D+01  0.822304D+00  0.973963D+00  0.135270D+02
      2  -0.109699D+01 -0.574438D+01 -0.118781D+01 -0.803397D+01 -0.348702D+01
      3   0.921189D+00  0.941527D-01  0.365509D+00  0.706001D+01 -0.100400D+02
      4   0.250872D+01 -0.672805D+01  0.620481D+01 -0.715673D+01 -0.180822D+02
      5  -0.983604D+00  0.101019D+02 -0.427471D+01  0.173809D+02 -0.932746D+01
      6   0.331408D+01 -0.699218D+01  0.504602D+01 -0.141927D+02  0.717157D+01
               101           102           103           104           105 
      1  -0.565789D+01 -0.469268D+01 -0.516346D+01  0.362833D+00  0.100295D+01
      2  -0.111485D+01  0.111023D+01 -0.489836D+00  0.468246D+01  0.146641D+01
      3   0.677274D+01  0.358245D+01  0.565329D+01 -0.504530D+01 -0.246936D+01
      4   0.144609D+02  0.723268D+01  0.119446D+02 -0.913267D+01 -0.514116D+01
      5   0.537045D+01  0.848319D+01  0.356383D+01 -0.420645D+01 -0.318715D+01
      6  -0.496221D+01 -0.608709D+01 -0.476142D+01  0.461678D+01  0.480266D+01
               106           107           108           109           110 
      1  -0.629089D+01  0.127378D+01  0.255577D+01 -0.889348D+01  0.155728D+01
      2   0.260646D+01  0.125450D+01 -0.248976D+01  0.740841D+01 -0.192213D+01
      3   0.368443D+01 -0.252828D+01 -0.660149D-01  0.148507D+01  0.364847D+00
      4   0.105526D+02 -0.850156D+01 -0.838299D+01 -0.735215D+01 -0.326288D+01
      5   0.974660D+01 -0.595571D+01 -0.903168D+01  0.128562D+01 -0.217985D+00
      6  -0.781545D+01  0.686843D+01  0.799038D+01  0.849896D+00  0.326747D+00
               111           112           113           114           115 
      1  -0.253598D+00  0.384027D+01 -0.974659D+01  0.409673D+00  0.426352D+00
      2  -0.240165D-01 -0.214161D+01  0.145979D+02 -0.331517D+00 -0.339813D+00
      3   0.277614D+00 -0.169867D+01 -0.485135D+01 -0.781560D-01 -0.865395D-01
      4   0.617377D+00  0.607703D+01  0.719154D+01 -0.653018D+00  0.670160D+00
      5  -0.324561D+01 -0.859454D+00 -0.144507D-01  0.180506D+01  0.847259D+00
      6   0.300489D+00 -0.342277D+00 -0.120389D+01  0.285410D+01  0.891412D+00
               116           117 
      1   0.500690D+00 -0.241661D+01
      2  -0.194918D+00  0.136157D+01
      3  -0.305772D+00  0.105505D+01
      4   0.229703D+00  0.906938D+00
      5   0.108402D+01  0.193173D+00
      6   0.339321D+01 -0.482568D+00
 Leave Link  716 at Thu Aug 26 17:39:08 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.585226D+02 -0.115522D+01 -0.412119D+00
      2  -0.115522D+01  0.603306D+02 -0.574654D+00
      3  -0.412119D+00 -0.574654D+00  0.444881D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.589377D+00  0.209023D+01  0.555520D+01
      2  -0.305014D+01 -0.167848D+01 -0.178362D+02
      3   0.255834D+01  0.958967D+01  0.122127D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.402207D+02  0.523286D+00 -0.708521D+00
      2   0.247008D+02 -0.896241D+01  0.123275D+01
      3   0.155200D+02  0.843913D+01 -0.524224D+00
      4  -0.113618D+02 -0.193285D+02 -0.551012D+01
      5  -0.900459D+00 -0.661188D+01 -0.395367D+02
      6  -0.430493D+01 -0.199079D+01 -0.662577D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.491136D+01 -0.520687D+00 -0.226009D+01 -0.148432D+01 -0.324153D+01
      2  -0.520687D+00 -0.417856D+01 -0.153154D+00 -0.324153D+01  0.245058D+01
      3  -0.226009D+01 -0.153154D+00  0.631515D-01 -0.245626D+00 -0.190698D+01
                 6             7             8             9            10 
      1  -0.245626D+00 -0.273389D+01 -0.595485D+00  0.417566D+00 -0.365159D+01
      2  -0.190698D+01 -0.595485D+00 -0.212643D+01 -0.268071D-01  0.952691D+00
      3  -0.243049D+00  0.417566D+00 -0.268071D-01  0.671416D+01  0.607150D+00
                11            12            13            14            15 
      1   0.952691D+00  0.607150D+00  0.125546D+01  0.268413D+01  0.394458D+00
      2   0.350179D+01  0.413978D+00  0.268413D+01 -0.148748D+01  0.102616D+01
      3   0.413978D+00  0.791949D-01  0.394458D+00  0.102616D+01  0.570819D+00
                16            17            18            19            20 
      1   0.439555D+00  0.912802D+00  0.426133D+00  0.217161D+01  0.768107D+00
      2   0.912802D+00  0.161400D+01  0.207063D+00  0.768107D+00 -0.383314D+01
      3   0.426133D+00  0.207063D+00 -0.670525D+01  0.540382D-02  0.242406D+00
                21            22            23            24            25 
      1   0.540382D-02  0.245396D+01 -0.395062D+01  0.139075D+00 -0.525622D+00
      2   0.242406D+00 -0.395062D+01  0.351187D+01  0.443039D-02  0.439560D+00
      3  -0.765669D-01  0.139075D+00  0.443039D-02  0.589847D+00  0.365190D-01
                26            27            28            29            30 
      1   0.439560D+00  0.365190D-01  0.563231D+01 -0.411319D+01  0.212293D+00
      2  -0.348771D+00  0.331013D+00 -0.411319D+01  0.428336D+01 -0.284876D+00
      3   0.331013D+00  0.557554D+00  0.212293D+00 -0.284876D+00  0.123046D+01
                31            32            33            34            35 
      1  -0.496378D+01  0.381195D+01  0.864959D-02  0.298755D+00 -0.731573D-02
      2   0.381195D+01 -0.102003D+02  0.136967D+00 -0.731573D-02  0.162813D-01
      3   0.864959D-02  0.136967D+00 -0.235103D+01  0.192429D+01 -0.272818D+01
                36            37            38            39            40 
      1   0.192429D+01  0.312004D+01 -0.158403D+01 -0.755982D+00 -0.104744D+01
      2  -0.272818D+01 -0.158403D+01 -0.541026D-01  0.298700D+00 -0.700942D+00
      3   0.131499D+00 -0.755982D+00  0.298700D+00  0.267310D+01  0.424529D+00
                41            42            43            44            45 
      1  -0.700942D+00  0.424529D+00 -0.946455D+00  0.556617D+00  0.289813D+01
      2   0.511768D+01 -0.796283D+00  0.556617D+00 -0.870018D+00 -0.457760D+00
      3  -0.796283D+00 -0.174467D+00  0.289813D+01 -0.457760D+00  0.285106D+01
                46            47            48            49            50 
      1   0.709606D+01  0.163407D+01 -0.673495D+00 -0.177430D+01  0.353321D+01
      2   0.163407D+01  0.374455D+01 -0.360945D+00  0.353321D+01  0.241392D+01
      3  -0.673495D+00 -0.360945D+00  0.897640D+00  0.159470D-02 -0.363174D+00
                51            52            53            54            55 
      1   0.159470D-02 -0.818364D+00 -0.470747D+00  0.121171D+01  0.146902D+00
      2  -0.363174D+00 -0.470747D+00 -0.423524D+00  0.170092D+01 -0.187329D+00
      3   0.894391D+00  0.121171D+01  0.170092D+01 -0.109532D+01  0.978923D+00
                56            57            58            59            60 
      1  -0.187329D+00  0.978923D+00 -0.505638D+00 -0.707740D+00  0.158637D-01
      2  -0.720664D+00 -0.320499D-01 -0.707740D+00  0.367162D-01  0.108394D+01
      3  -0.320499D-01 -0.459012D+00  0.158637D-01  0.108394D+01 -0.456382D+00
                61            62            63            64            65 
      1   0.177269D+01 -0.122151D+00 -0.653151D+00 -0.915296D+01 -0.138141D+01
      2  -0.122151D+00  0.143911D+01 -0.331799D-01 -0.138141D+01 -0.136947D+01
      3  -0.653151D+00 -0.331799D-01  0.863551D+01  0.144175D+01  0.109549D+00
                66            67            68            69            70 
      1   0.144175D+01  0.174833D+00 -0.784220D+00  0.129896D+00  0.227507D+01
      2   0.109549D+00 -0.784220D+00 -0.554199D+00  0.488363D+00  0.383166D+00
      3  -0.155683D+01  0.129896D+00  0.488363D+00  0.906241D-01 -0.138211D+01
                71            72            73            74            75 
      1   0.383166D+00 -0.138211D+01 -0.690949D+00 -0.969895D-01 -0.673504D+00
      2   0.974450D+00 -0.189561D+00 -0.969895D-01  0.552096D+00  0.577744D-01
      3  -0.189561D+00  0.366637D+00 -0.673504D+00  0.577744D-01  0.461509D-01
                76            77            78            79            80 
      1   0.337337D+00  0.222038D+00  0.137610D+00 -0.140353D+01 -0.365792D+00
      2   0.222038D+00 -0.374386D+00 -0.752574D+00 -0.365792D+00 -0.172240D+01
      3   0.137610D+00 -0.752574D+00  0.285694D+00 -0.981359D+00 -0.917376D+00
                81            82            83            84            85 
      1  -0.981359D+00  0.858422D+00 -0.637601D+00  0.483035D+00 -0.141495D+01
      2  -0.917376D+00 -0.637601D+00  0.236032D+01 -0.114355D+00  0.946664D+00
      3  -0.825423D+01  0.483035D+00 -0.114355D+00  0.615579D+00 -0.205046D+00
                86            87            88            89            90 
      1   0.946664D+00 -0.205046D+00  0.780266D+00  0.671101D-01  0.182593D+00
      2  -0.804033D+01  0.995893D+00  0.671101D-01  0.154962D+01 -0.112451D+01
      3   0.995893D+00 -0.134957D+01  0.182593D+00 -0.112451D+01  0.118853D+00
                91            92            93            94            95 
      1  -0.162211D+01  0.106757D+01 -0.139675D+01  0.674910D+00 -0.237022D+00
      2   0.106757D+01 -0.677818D+00  0.589633D+00 -0.237022D+00  0.601363D+00
      3  -0.139675D+01  0.589633D+00 -0.183311D+01  0.254161D+00 -0.470994D+00
                96            97            98            99           100 
      1   0.254161D+00 -0.254080D+01  0.708065D+00 -0.242532D+01 -0.451394D+01
      2  -0.470994D+00  0.708065D+00 -0.188109D+01  0.118458D+01  0.270240D+01
      3   0.193066D+00 -0.242532D+01  0.118458D+01 -0.526857D+01  0.166939D+01
               101           102           103           104           105 
      1   0.270240D+01  0.166939D+01  0.264604D+01 -0.154507D+01 -0.873690D+00
      2  -0.226870D+01 -0.980173D+00 -0.154507D+01  0.202257D+01  0.812993D+00
      3  -0.980173D+00 -0.167074D+01 -0.873690D+00  0.812993D+00  0.997014D+00
               106           107           108           109           110 
      1   0.305394D+01 -0.146560D+01 -0.199540D+01 -0.430515D+01  0.139639D+01
      2  -0.146560D+01  0.184833D+01  0.135722D+01  0.139639D+01 -0.133967D+01
      3  -0.199540D+01  0.135722D+01  0.217187D+01  0.361874D+00  0.213512D+00
               111           112           113           114           115 
      1   0.361874D+00  0.364789D+01 -0.308506D-01 -0.181475D+00  0.348404D+00
      2   0.213512D+00 -0.308506D-01  0.450198D+01 -0.258731D+00 -0.402337D-01
      3  -0.902948D-02 -0.181475D+00 -0.258731D+00  0.953038D+00  0.340403D+00
               116           117 
      1  -0.402337D-01  0.340403D+00
      2  -0.695595D-01  0.696575D+00
      3   0.696575D+00 -0.223774D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.428199D+01 -0.977966D-01 -0.507121D+00 -0.708318D+00 -0.653145D+01
      2   0.618094D+01  0.154496D+01  0.126516D+01  0.172367D+01  0.260732D+01
      3  -0.749436D+01 -0.890147D+01  0.297950D+01 -0.121504D+01  0.119166D+02
                 6             7             8             9            10 
      1  -0.262101D+01  0.105289D+01  0.225397D+01  0.847110D+01  0.105238D+01
      2   0.672242D+00 -0.340675D+01 -0.116552D+00 -0.933362D+01  0.860351D+00
      3  -0.294523D+01  0.320828D+01 -0.285031D+01 -0.841862D+00  0.368953D+01
                11            12            13            14            15 
      1   0.104391D+01 -0.169262D+00  0.171449D+01  0.599867D+00  0.518900D+00
      2   0.139902D+01  0.341465D+01 -0.117294D+01 -0.330281D+01 -0.874572D+00
      3  -0.291737D+01 -0.115955D+01  0.133093D+01 -0.282134D+01  0.129990D+01
                16            17            18            19            20 
      1   0.159058D+00  0.517217D+01 -0.940907D+00  0.611563D-01  0.102807D+01
      2  -0.313867D+01 -0.430525D+00  0.203032D+01 -0.469445D+01 -0.179329D+01
      3   0.430213D+00  0.228460D+01 -0.459602D+00  0.344752D+01  0.293457D+01
                21            22            23            24            25 
      1  -0.143908D+01  0.215360D+01  0.110922D+01  0.836531D+01  0.213929D+01
      2  -0.636959D+01 -0.171686D+01  0.116904D+01  0.267502D+01 -0.169732D+02
      3   0.666351D+00  0.198258D+01 -0.659641D+01 -0.173166D+01 -0.325841D+00
                26            27            28            29            30 
      1   0.971365D+01 -0.202597D+01 -0.310120D+00  0.410253D+00  0.448526D+01
      2  -0.803827D+00  0.336919D+01 -0.201716D+00  0.154122D+00  0.730922D+01
      3  -0.294444D+01 -0.750460D+00 -0.243240D+01 -0.851635D+01  0.134227D+00
                31            32            33            34            35 
      1  -0.313562D+00 -0.775003D+00 -0.903547D+01 -0.527221D+00  0.165379D+01
      2   0.179799D+01 -0.365646D+00 -0.483250D+01  0.267840D+01 -0.208283D+01
      3   0.671013D+01  0.136737D+02  0.318734D+00  0.743058D+00  0.602605D+00
                36            37            38            39            40 
      1   0.306370D+00  0.202389D+01 -0.165712D+01 -0.536516D+01 -0.277317D+01
      2  -0.910214D+00  0.181814D+01 -0.206973D+01  0.797677D+00 -0.121647D+01
      3   0.310782D+01  0.461757D+01 -0.951978D+01 -0.240489D+00  0.226844D+01
                41            42            43            44            45 
      1   0.292147D+01 -0.423255D+01 -0.697793D+01  0.531171D+01 -0.435108D+01
      2   0.169085D+01  0.827774D+00 -0.701405D+01  0.163821D+01 -0.236743D+01
      3   0.275446D+01  0.330676D+00 -0.139923D+01  0.510916D+00  0.530449D+01
                46            47            48            49            50 
      1   0.130314D+01 -0.121409D+01 -0.343809D+01 -0.775332D+00  0.547157D+00
      2   0.180625D+01 -0.398863D+00  0.599899D+01 -0.746357D+00 -0.213962D+00
      3   0.130004D+02 -0.128485D+02 -0.398646D+00 -0.745163D+01  0.183763D+01
                51            52            53            54            55 
      1  -0.518660D+01 -0.235177D+01  0.132745D+01  0.144706D+01  0.992733D-01
      2   0.115321D+01  0.334457D+01  0.220925D+01 -0.220105D+01 -0.104313D+00
      3   0.608395D+00 -0.130170D+01  0.186600D+01 -0.134605D+01 -0.634464D+00
                56            57            58            59            60 
      1  -0.743855D+00 -0.271854D+00 -0.789821D+00  0.168103D+00 -0.507829D+00
      2  -0.245167D+00  0.304911D+00  0.200675D+00  0.129583D+00  0.524737D+00
      3  -0.119680D+01  0.120532D+00  0.706077D+00  0.433818D+00  0.758875D+00
                61            62            63            64            65 
      1  -0.550426D+00  0.291468D+01  0.103125D+01  0.168411D+01 -0.505617D-01
      2  -0.242394D+01  0.300492D+00 -0.505027D+01 -0.363448D+01 -0.150764D+00
      3  -0.341022D+00  0.837862D+00  0.151068D+00  0.985226D+01 -0.340611D+01
                66            67            68            69            70 
      1  -0.221417D+01  0.185603D+00  0.636094D+00 -0.566104D+00 -0.147331D+01
      2   0.548431D+01 -0.285519D+00 -0.723815D+00 -0.305835D+00  0.150615D+01
      3  -0.204001D+01 -0.173033D-01 -0.653418D-01  0.715298D+00 -0.223345D+01
                71            72            73            74            75 
      1   0.716373D+00  0.455757D+00 -0.745372D+00 -0.266714D+00 -0.240658D+00
      2   0.972745D-01 -0.120862D+01  0.780256D+00 -0.105201D+00  0.724376D+00
      3   0.185077D+01  0.138651D+01  0.689039D+00  0.218271D+00  0.866715D+00
                76            77            78            79            80 
      1  -0.623377D-01 -0.103060D+01 -0.499979D+00 -0.911000D+00  0.252417D+01
      2  -0.117631D+00  0.103213D+01 -0.192743D+00 -0.192843D+01  0.934332D+00
      3   0.780234D+00 -0.875727D+00 -0.100179D+01  0.160027D+01 -0.231531D+01
                81            82            83            84            85 
      1  -0.109237D+02  0.112859D+01 -0.520246D+00  0.170730D+01 -0.758749D+00
      2   0.124849D+02 -0.714801D+00 -0.128236D+00 -0.235816D+00  0.187661D+00
      3   0.226711D-01 -0.452503D+01  0.424209D+01 -0.131653D+01  0.654383D+01
                86            87            88            89            90 
      1   0.306894D+01 -0.426706D+01  0.504826D+00 -0.731120D+00  0.564260D+00
      2  -0.915161D+00  0.143630D+01 -0.121509D+01  0.107438D+01 -0.341183D-01
      3  -0.139906D+02  0.213994D+01 -0.180748D+01  0.240639D+01 -0.188048D+01
                91            92            93            94            95 
      1   0.244766D+01 -0.383606D+00  0.367959D+01 -0.348997D+00  0.138608D+01
      2   0.695874D+00 -0.623545D+00  0.277447D+01 -0.422501D+00  0.420581D+00
      3  -0.133088D+01  0.124253D+00 -0.144457D+01  0.155358D+01  0.528345D-01
                96            97            98            99           100 
      1  -0.740765D+00  0.491254D+01 -0.507816D-01  0.923007D+01 -0.308282D+01
      2  -0.473110D+00  0.917419D+00 -0.157157D+01  0.613842D+01 -0.102566D+01
      3   0.574767D-02 -0.390746D+01 -0.189650D+01 -0.306131D+01 -0.490706D+01
               101           102           103           104           105 
      1   0.149156D+01  0.360170D+01  0.181046D+01 -0.108526D+01 -0.183626D+01
      2   0.132535D+01  0.293649D+01  0.935250D+00 -0.751193D+00 -0.151159D+01
      3   0.185337D+00  0.163430D+01  0.389001D+01  0.529319D+00 -0.783569D+00
               106           107           108           109           110 
      1   0.372172D+01 -0.112878D+01 -0.351376D+01 -0.137990D+01  0.960202D+00
      2   0.119639D+01 -0.154237D+01 -0.293591D+01 -0.197193D+01  0.804200D+00
      3   0.448528D+01  0.414378D+00 -0.198463D+01 -0.133943D+02  0.943476D+01
               111           112           113           114           115 
      1   0.171551D+00  0.871679D+00 -0.727468D+00 -0.163530D+01 -0.276530D+00
      2  -0.216014D+01  0.833023D+00 -0.776917D+00  0.901062D+00 -0.280602D+01
      3   0.485313D+00  0.121814D+02 -0.742677D+01  0.790889D-01  0.849087D+00
               116           117 
      1   0.489818D+00 -0.375619D-01
      2   0.871537D+00  0.223956D+00
      3  -0.766950D+00  0.351832D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.288144D+02 -0.829716D+01  0.996327D+01 -0.313086D+01  0.146548D+02
      2   0.142197D+02  0.124254D+02 -0.565120D+01  0.729928D+01 -0.162975D+02
      3   0.145947D+02 -0.412827D+01 -0.431208D+01 -0.416842D+01  0.164268D+01
      4  -0.911783D+01  0.946294D+01  0.537838D+01  0.124065D+02  0.435600D+01
      5   0.978696D+01  0.130170D+01  0.152413D+00  0.151453D+01  0.615125D+01
      6   0.718501D+01  0.148466D+01  0.445262D+00  0.150715D+01  0.823948D+01
                 6             7             8             9            10 
      1  -0.308780D+01  0.119357D+02 -0.153179D+01  0.480554D+01  0.482866D+01
      2   0.555363D+01 -0.431968D+01  0.571870D+01  0.771185D+01 -0.927031D+00
      3  -0.246582D+01 -0.761602D+01 -0.418691D+01 -0.125174D+02 -0.390163D+01
      4   0.466153D+01  0.739336D+01  0.601679D+01  0.194839D+01 -0.168035D+01
      5   0.122233D+01 -0.636846D+00  0.106048D+01 -0.178924D+02 -0.200289D+01
      6   0.282331D+01 -0.182204D+00  0.719398D+00 -0.123224D+02 -0.226968D+00
                11            12            13            14            15 
      1  -0.349335D+01  0.157318D-01 -0.167781D+00 -0.235909D+00 -0.176006D+01
      2   0.298590D+01 -0.786719D-01 -0.766274D+00 -0.586531D+01  0.405600D+00
      3   0.507447D+00  0.629401D-01  0.934055D+00  0.610122D+01  0.135446D+01
      4  -0.308497D+01 -0.128016D+01 -0.141749D+02 -0.112922D+00 -0.272114D+01
      5  -0.116141D+01  0.986425D+00 -0.194955D+01 -0.193394D+01 -0.115113D+01
      6  -0.238179D+01  0.708839D+00 -0.227227D+01 -0.201957D+01 -0.444183D+01
                16            17            18            19            20 
      1  -0.556917D+01 -0.198991D+01  0.850833D+01 -0.785425D+01 -0.221356D+01
      2  -0.727760D+00  0.121275D+01  0.953819D+01 -0.137009D+00  0.449432D+01
      3   0.629693D+01  0.777161D+00 -0.180465D+02  0.799126D+01 -0.228076D+01
      4  -0.130338D+01 -0.523309D+01 -0.227762D+01  0.756265D+01 -0.194335D+02
      5  -0.680064D+00 -0.757826D+00  0.110567D+02 -0.168301D+01  0.226151D+01
      6  -0.972785D+00  0.101774D+01  0.228051D+01 -0.298993D+00  0.654857D+00
                21            22            23            24            25 
      1  -0.198927D+01  0.102064D+02 -0.365650D-01 -0.879693D+00  0.122303D+01
      2  -0.108071D+01 -0.472103D+01 -0.917234D+01 -0.183983D+01 -0.220146D+01
      3   0.306998D+01 -0.548534D+01  0.920891D+01  0.271953D+01  0.978433D+00
      4   0.116422D+01 -0.243799D+02  0.126422D+02  0.698574D+00  0.166649D+01
      5  -0.760393D+01  0.291975D+01 -0.354188D+00  0.358363D+01  0.111569D+01
      6   0.112303D+01  0.563488D-01  0.173211D+01 -0.137883D+02 -0.206115D+00
                26            27            28            29            30 
      1   0.612129D+00 -0.612298D+01  0.235699D+02 -0.618660D+01  0.461202D+00
      2   0.683297D+00 -0.519469D+01 -0.950018D+01 -0.247417D+01 -0.410669D+00
      3  -0.129543D+01  0.113177D+02 -0.140697D+02  0.866077D+01 -0.505333D-01
      4   0.420284D+01  0.230321D+01 -0.233916D+02  0.258762D+02 -0.130038D+01
      5   0.781414D+00  0.284420D+01  0.273413D+01 -0.167528D+01  0.117783D+02
      6   0.386818D+01  0.187671D+01 -0.486729D+00  0.331799D+00 -0.643556D+01
                31            32            33            34            35 
      1  -0.107183D+02 -0.630949D+01  0.290375D-01  0.391063D+00  0.174440D+00
      2  -0.675647D+00  0.213480D+02  0.927217D+00  0.329646D+00  0.518904D+00
      3   0.113939D+02 -0.150385D+02 -0.956255D+00 -0.720709D+00 -0.693344D+00
      4   0.280961D+02 -0.356829D+02  0.910715D+00 -0.290583D+00 -0.396059D+00
      5  -0.187624D+01  0.207325D+01 -0.933333D+01  0.118056D+02 -0.906259D+01
      6   0.644860D+00 -0.327374D+00  0.139877D+02 -0.469214D+01  0.103373D+02
                36            37            38            39            40 
      1   0.387719D-01  0.266887D+01  0.883468D+01  0.150725D+01  0.646112D+01
      2  -0.201952D+01 -0.382627D+01 -0.622268D+01  0.205131D+01 -0.407057D+01
      3   0.198075D+01  0.115741D+01 -0.261199D+01 -0.355857D+01 -0.239055D+01
      4  -0.932684D+01  0.126076D+02 -0.150528D+01 -0.296835D+01  0.598407D+01
      5   0.694538D+00  0.315284D+01 -0.263757D+01 -0.567516D+01 -0.231754D+01
      6  -0.565103D+00 -0.391864D+01  0.323518D+01  0.819051D+01  0.338397D+01
                41            42            43            44            45 
      1  -0.111319D+02 -0.238573D+00  0.155304D+01 -0.164928D+01 -0.907817D+01
      2   0.212761D+02 -0.198148D+01  0.300843D+01 -0.199570D+01  0.541526D+01
      3  -0.101442D+02  0.222005D+01 -0.456148D+01  0.364498D+01  0.366292D+01
      4  -0.105500D+02  0.328124D+01 -0.526317D+01  0.379004D+01  0.928617D+01
      5   0.246682D+01  0.134146D+01 -0.692643D+01  0.432277D+01 -0.776670D+01
      6  -0.351632D+01  0.470110D+01  0.109015D+02  0.661590D+00  0.511876D+01
                46            47            48            49            50 
      1   0.213893D+02  0.275796D+01 -0.605624D-01 -0.276910D+01  0.119132D+00
      2  -0.119164D+02  0.394144D+01  0.138397D+01  0.697564D+01  0.760992D+01
      3  -0.947290D+01 -0.669940D+01 -0.132340D+01 -0.420654D+01 -0.772905D+01
      4   0.217985D+02  0.191872D+02 -0.167440D+01  0.136921D+02  0.148033D+02
      5  -0.248935D+01 -0.101178D+01  0.109163D+02  0.279553D+00 -0.133993D+01
      6  -0.131720D+01 -0.913864D+00  0.551166D+01 -0.698667D+00 -0.208255D+01
                51            52            53            54            55 
      1   0.175300D+01  0.191714D+00  0.790751D+00 -0.205763D+00  0.478230D+00
      2  -0.374962D+00  0.122076D+01 -0.931077D+00 -0.392910D+01 -0.335605D+01
      3  -0.137804D+01 -0.141247D+01  0.140326D+00  0.413486D+01  0.287782D+01
      4  -0.114695D+01 -0.191030D+01 -0.218672D+01  0.637758D+01  0.592498D+00
      5   0.358991D+01  0.968801D+01  0.595310D+01 -0.437238D+01 -0.200243D+01
      6   0.109633D+02  0.303123D+01  0.791755D+01 -0.311956D+01 -0.659787D+00
                56            57            58            59            60 
      1   0.266049D+00 -0.169454D+01 -0.249311D+00 -0.328474D+01  0.712731D+00
      2   0.560887D-01  0.123567D+01 -0.553332D-01 -0.119390D+00  0.293401D+00
      3  -0.322138D+00  0.458866D+00  0.304644D+00  0.340414D+01 -0.100613D+01
      4   0.216816D+01 -0.274289D+00  0.355376D+01  0.459467D+00 -0.136814D+01
      5  -0.269862D+00  0.638025D+01 -0.174824D+00 -0.156665D+01  0.716840D+00
      6   0.693821D+00 -0.155842D+00  0.849283D-01 -0.767548D+00  0.649790D+01
                61            62            63            64            65 
      1   0.293215D+00  0.183494D+00 -0.170582D+02  0.493196D+02  0.439290D+01
      2   0.235909D+01  0.115913D+00 -0.169342D+02 -0.240275D+02  0.580853D+00
      3  -0.265231D+01 -0.299407D+00  0.339924D+02 -0.252921D+02 -0.497375D+01
      4  -0.847885D+00 -0.196333D+01  0.597853D+00  0.225649D+02  0.113165D+02
      5   0.588574D+01  0.450166D-01 -0.134937D+02 -0.680151D+01 -0.703819D+00
      6   0.388591D+00  0.461004D+01 -0.203296D+01 -0.417819D+01 -0.734113D+00
                66            67            68            69            70 
      1  -0.775881D+01 -0.193869D+01  0.306372D+01  0.566210D+00 -0.103619D+02
      2   0.401078D+01  0.286493D+01  0.757869D+00 -0.119922D+01  0.569389D+01
      3   0.374803D+01 -0.926234D+00 -0.382159D+01  0.633006D+00  0.466801D+01
      4  -0.346467D+01  0.689051D+01  0.273842D+01 -0.212129D+01 -0.542260D+01
      5   0.926920D+01 -0.283069D+00 -0.195110D+01 -0.412395D+00  0.896410D+01
      6   0.427078D+01 -0.611101D+00 -0.111044D+01  0.949972D+00  0.349008D+01
                71            72            73            74            75 
      1  -0.921015D-01  0.500414D+01  0.366602D+01  0.135879D+01  0.223709D+01
      2  -0.165700D+01 -0.506950D+01 -0.376291D+01 -0.167344D+01 -0.124473D+01
      3   0.174910D+01  0.653615D-01  0.968921D-01  0.314652D+00 -0.992363D+00
      4  -0.433029D+01  0.282557D+01  0.187946D+01  0.807120D-01  0.144540D+01
      5   0.106126D+01 -0.399963D+01  0.167034D+01  0.324224D+00  0.492224D+01
      6   0.171549D+01 -0.105455D+01  0.116587D+01 -0.398861D+00  0.498236D+00
                76            77            78            79            80 
      1  -0.316274D+00 -0.379513D+01 -0.138524D+01  0.336995D+01 -0.255336D+01
      2   0.862675D-01  0.209386D+01  0.251883D+01 -0.299270D+01  0.275721D+01
      3   0.230007D+00  0.170127D+01 -0.113359D+01 -0.377256D+00 -0.203852D+00
      4   0.304504D+00  0.146942D+00  0.239645D+01  0.379000D+01  0.532477D+01
      5  -0.843002D+00  0.193961D+01 -0.530787D+00  0.771151D+01  0.252838D+01
      6   0.384100D+00  0.105944D+01  0.490712D+01  0.220653D+01  0.716860D+01
                81            82            83            84            85 
      1  -0.119588D+02 -0.123852D+01  0.741118D+01 -0.186332D+01  0.667336D+01
      2  -0.132364D+02  0.348179D+01 -0.106472D+02  0.186395D+01 -0.651291D+01
      3   0.251952D+02 -0.224327D+01  0.323604D+01 -0.634622D-03 -0.160451D+00
      4   0.185178D+01 -0.196764D+01 -0.863512D-01 -0.125121D+01  0.463672D+01
      5   0.236018D+02 -0.130809D+01  0.324286D+00 -0.638474D+00  0.819947D+00
      6   0.184221D+02 -0.155993D+01  0.740695D+00 -0.266699D+01  0.459243D+00
                86            87            88            89            90 
      1  -0.225849D+02  0.308507D+01 -0.253758D+01  0.384195D+01 -0.470468D+01
      2   0.379938D+02 -0.510730D+01  0.138225D+01 -0.591166D+01  0.322156D+01
      3  -0.154090D+02  0.202223D+01  0.115533D+01  0.206971D+01  0.148311D+01
      4   0.138454D+02 -0.171765D+01 -0.230668D+01 -0.315792D+01  0.104669D+01
      5  -0.324828D+01  0.333916D+01  0.899622D+00  0.205919D+01  0.373087D+00
      6  -0.379117D+01  0.691695D+01 -0.120373D+01  0.700701D+01 -0.249322D+01
                91            92            93            94            95 
      1   0.538314D+01 -0.227058D+01  0.357873D+01 -0.195722D+01 -0.129570D+01
      2  -0.318457D+01  0.340605D+00 -0.289118D+01  0.666801D+00  0.153537D+01
      3  -0.219856D+01  0.192997D+01 -0.687550D+00  0.129042D+01 -0.239670D+00
      4  -0.656910D+01  0.515105D+01 -0.419923D+01  0.349138D+01 -0.186008D+01
      5   0.657271D+01 -0.247913D+01  0.876298D+01 -0.793940D+00  0.198404D+01
      6  -0.372592D+01  0.192308D+01 -0.570333D+01  0.175301D+01 -0.140360D+01
                96            97            98            99           100 
      1   0.175801D+00  0.565022D+01  0.822304D+00  0.973963D+00  0.135270D+02
      2  -0.109699D+01 -0.574438D+01 -0.118781D+01 -0.803397D+01 -0.348702D+01
      3   0.921189D+00  0.941527D-01  0.365509D+00  0.706001D+01 -0.100400D+02
      4   0.250872D+01 -0.672805D+01  0.620481D+01 -0.715673D+01 -0.180822D+02
      5  -0.983604D+00  0.101019D+02 -0.427471D+01  0.173809D+02 -0.932746D+01
      6   0.331408D+01 -0.699218D+01  0.504602D+01 -0.141927D+02  0.717157D+01
               101           102           103           104           105 
      1  -0.565789D+01 -0.469268D+01 -0.516346D+01  0.362833D+00  0.100295D+01
      2  -0.111485D+01  0.111023D+01 -0.489836D+00  0.468246D+01  0.146641D+01
      3   0.677274D+01  0.358245D+01  0.565329D+01 -0.504530D+01 -0.246936D+01
      4   0.144609D+02  0.723268D+01  0.119446D+02 -0.913267D+01 -0.514116D+01
      5   0.537045D+01  0.848319D+01  0.356383D+01 -0.420645D+01 -0.318715D+01
      6  -0.496221D+01 -0.608709D+01 -0.476142D+01  0.461678D+01  0.480266D+01
               106           107           108           109           110 
      1  -0.629089D+01  0.127378D+01  0.255577D+01 -0.889348D+01  0.155728D+01
      2   0.260646D+01  0.125450D+01 -0.248976D+01  0.740841D+01 -0.192213D+01
      3   0.368443D+01 -0.252828D+01 -0.660149D-01  0.148507D+01  0.364847D+00
      4   0.105526D+02 -0.850156D+01 -0.838299D+01 -0.735215D+01 -0.326288D+01
      5   0.974660D+01 -0.595571D+01 -0.903168D+01  0.128562D+01 -0.217985D+00
      6  -0.781545D+01  0.686843D+01  0.799038D+01  0.849896D+00  0.326747D+00
               111           112           113           114           115 
      1  -0.253598D+00  0.384027D+01 -0.974659D+01  0.409673D+00  0.426352D+00
      2  -0.240165D-01 -0.214161D+01  0.145979D+02 -0.331517D+00 -0.339813D+00
      3   0.277614D+00 -0.169867D+01 -0.485135D+01 -0.781560D-01 -0.865395D-01
      4   0.617377D+00  0.607703D+01  0.719154D+01 -0.653018D+00  0.670160D+00
      5  -0.324561D+01 -0.859454D+00 -0.144507D-01  0.180506D+01  0.847259D+00
      6   0.300489D+00 -0.342277D+00 -0.120389D+01  0.285410D+01  0.891412D+00
               116           117 
      1   0.500690D+00 -0.241661D+01
      2  -0.194918D+00  0.136157D+01
      3  -0.305772D+00  0.105505D+01
      4   0.229703D+00  0.906938D+00
      5   0.108402D+01  0.193173D+00
      6   0.339321D+01 -0.482568D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.213675D+01      0.543108D+01      0.181161D+02
   x         -0.196944D+01     -0.500581D+01     -0.166976D+02
   y          0.818548D+00      0.208054D+01      0.693994D+01
   z          0.130346D+00      0.331305D+00      0.110512D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508101D+02      0.752929D+01      0.837746D+01
   aniso      0.146168D+02      0.216599D+01      0.240999D+01
   xx         0.546564D+02      0.809924D+01      0.901162D+01
   yx        -0.115539D+01     -0.171211D+00     -0.190498D+00
   yy         0.565124D+02      0.837427D+01      0.931763D+01
   zx        -0.526764D+00     -0.780583D-01     -0.868516D-01
   zy        -0.603703D+00     -0.894596D-01     -0.995372D-01
   zz         0.412617D+02      0.611436D+01      0.680314D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.544471D+02      0.806823D+01      0.897711D+01
   aniso      0.152024D+02      0.225277D+01      0.250654D+01
   xx         0.585226D+02      0.867216D+01      0.964907D+01
   yx        -0.115522D+01     -0.171186D+00     -0.190470D+00
   yy         0.603306D+02      0.894007D+01      0.994717D+01
   zx        -0.412119D+00     -0.610698D-01     -0.679493D-01
   zy        -0.574654D+00     -0.851549D-01     -0.947476D-01
   zz         0.444881D+02      0.659246D+01      0.733510D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.69331513         -2.64205114          1.60562862
     6          0.39873011         -0.71668640          1.14367371
     6          0.33292046          0.26468966         -1.59887574
     8         -0.07488828         -1.07544357         -3.38344942
     7          0.41460922          1.43496845          2.90440186
     8          0.83822232          2.73265519         -1.81446825
     1          2.23119114         -1.65856144          1.31066248
     1         -1.48585385         -3.49873772          3.46899664
     1         -3.54461588         -1.73251840          1.50460995
     1         -1.63870072         -4.11799966          0.17469475
     1         -1.35445702          1.83352113          3.52217324
     1          1.50278487          1.09733708          4.43765136
     1          1.05069201          3.33878048         -0.06881541

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.213675D+01      0.543108D+01      0.181161D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.213675D+01      0.543108D+01      0.181161D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508101D+02      0.752929D+01      0.837746D+01
   aniso      0.146168D+02      0.216599D+01      0.240999D+01
   xx         0.427656D+02      0.633721D+01      0.705110D+01
   yx         0.441142D+01      0.653704D+00      0.727344D+00
   yy         0.539390D+02      0.799294D+01      0.889334D+01
   zx        -0.346574D-01     -0.513569D-02     -0.571423D-02
   zy         0.155618D+01      0.230602D+00      0.256579D+00
   zz         0.557258D+02      0.825771D+01      0.918794D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.544471D+02      0.806823D+01      0.897711D+01
   aniso      0.152024D+02      0.225277D+01      0.250654D+01
   xx         0.461429D+02      0.683768D+01      0.760794D+01
   yx         0.466940D+01      0.691933D+00      0.769879D+00
   yy         0.576274D+02      0.853949D+01      0.950147D+01
   zx        -0.161950D+00     -0.239985D-01     -0.267019D-01
   zy         0.159523D+01      0.236389D+00      0.263018D+00
   zz         0.595710D+02      0.882751D+01      0.982193D+01

 ----------------------------------------------------------------------
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 HAPPINESS IS NOT HAVING WHAT YOU WANT --
 HAPPINESS IS WANTING WHAT YOU HAVE!

              -- FROM MRS. SEVERN'S DESK
 Job cpu time:       0 days  0 hours 39 minutes 47.0 seconds.
 Elapsed time:       0 days  0 hours  4 minutes 59.8 seconds.
 File lengths (MBytes):  RWF=    119 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 26 17:39:09 2021.
